CAS: 291-64-5 Molecular Formula: C7H14 Molecular Weight (g/mol): 98.19 MDL Number: MFCD00004147 InChI Key: DMEGYFMYUHOHGS-UHFFFAOYSA-N Synonym: un2241 flammable liquid, cycloheptane, hsdb 59, cycloheptan, vtz53p34ja, unii-vtz53p34ja, heptamethylene PubChem CID: 9265 IUPAC Name: cycloheptane SMILES: C1CCCCCC1

CAS: 110-54-3 Molecular Formula: C6H14 Molecular Weight (g/mol): 86.18 MDL Number: MFCD02179311 InChI Key: VLKZOEOYAKHREP-UHFFFAOYSA-N Synonym: hexanes, hexanen, heksan, dipropyl, hexan, hexyl hydride, gettysolve-b, skellysolve b, esani, n-hexane PubChem CID: 8058 ChEBI: CHEBI:29021 IUPAC Name: hexane SMILES: CCCCCC

CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: za7vgu6scv, 2-butene-1,4-diol, z, 2z-but-2-ene-1,4-diol, 2-butene-1,4-diol, z-but-2-ene-1,4-diol, cis-1,4-dihydroxy-2-butene, unii-za7vgu6scv, cis-butenediol, z-2-butene-1,4-diol, cis-2-butene-1,4-diol PubChem CID: 643790 SMILES: OC\C=C/CO

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: styrolene, phenethylene, monomer, phenylethene, cinnamene, benzene, ethenyl, styrol, vinylbenzene, phenylethylene, ethenylbenzene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1

CAS: 4197-24-4 Molecular Formula: C21H22ClN3 Molecular Weight (g/mol): 351.878 MDL Number: MFCD00143923 InChI Key: HZLHRDBTVSZCBS-GHTYLULLSA-N PubChem CID: 91997463 IUPAC Name: 4-[(Z)-(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydron;chloride SMILES: [H+].CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N)C)C=CC1=N.[Cl-]

CAS: 24634-61-5 Molecular Formula: C₆H₇KO₂ Molecular Weight (g/mol): 150.22 InChI Key: CHHHXKFHOYLYRE-STWYSWDKSA-M Synonym: caswell no. 701c, sorbistat-potassium, bb powder, potassium 2e,4e-hexa-2,4-dienoate, sorbic acid potassium salt, potassium e,e-sorbate, sorbistat potassium, potassium 2,4-hexadienoate, sorbistat-k, potassium sorbate PubChem CID: 23676745 ChEBI: CHEBI:77868 IUPAC Name: potassium;(2E,4E)-hexa-2,4-dienoate SMILES: CC=CC=CC(=O)[O-].[K+]

CAS: 300-08-3 Molecular Formula: C8H14BrNO2 Molecular Weight (g/mol): 236.11 MDL Number: MFCD00039041 InChI Key: AXOJRQLKMVSHHZ-UHFFFAOYSA-N Synonym: n-methyltetrahydronicotinic acid methyl ester hydrobromide, methyl 1,2,5,6-tetrahydro-1-methylnicotinate hydrobromide, unii-24s79b9cx7, arekolinhydrobromid german, methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide, arecoline hbr, taeniolin, arecoline bromide, arecoline hydrobromide PubChem CID: 9301 IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide SMILES: [H+].[Br-].COC(=O)C1=CCCN(C)C1

CAS: 57-88-5 Molecular Formula: C27H46O InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, cholesteryl alcohol, cholest-5-en-3beta-ol, cholesterin, cholesterol PubChem CID: 5997 ChEBI: CHEBI:16113

CAS: 110-82-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.16 MDL Number: MFCD00003814 InChI Key: XDTMQSROBMDMFD-UHFFFAOYSA-N Synonym: polycyclohexane, benzenehexahydride, benzene, hexahydro, cyclohexaan, cicloesano, cykloheksan, cyclohexan, hexanaphthene, hexahydrobenzene, hexamethylene PubChem CID: 8078 ChEBI: CHEBI:29005 IUPAC Name: cyclohexane SMILES: C1CCCCC1

CAS: 766-82-5 Molecular Formula: C9H8 Molecular Weight (g/mol): 116.16 MDL Number: MFCD01318174 InChI Key: RENYIDZOAFFNHC-UHFFFAOYSA-N Synonym: 3-tolylacetylene, 3-methyl phenylacetylene, 3'-methylphenylacetylene, benzene, 1-ethynyl-3-methyl, benzene,1-ethynyl-3-methyl, 3'-methylphenyl acetylene, 1-ethynyl-3-methyl-benzene, m-tolylacetylene, 3-methylphenylacetylene, 3-ethynyltoluene PubChem CID: 136600 IUPAC Name: 1-ethynyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C#C

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.47 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: z-octadec-9-enoic acid, glycon ro, pamolyn 100, wecoline oo, glycon wo, oleate, elaidoic acid, cis-oleic acid, cis-9-octadecenoic acid, oleic acid PubChem CID: 445639 ChEBI: CHEBI:16196 IUPAC Name: (Z)-octadec-9-enoic acid SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

CAS: 110-54-3 Molecular Formula: C6H14 Molecular Weight (g/mol): 86.18 MDL Number: MFCD02179311 InChI Key: VLKZOEOYAKHREP-UHFFFAOYSA-N Synonym: hexanes, hexanen, heksan, dipropyl, hexan, hexyl hydride, gettysolve-b, skellysolve b, esani, n-hexane PubChem CID: 8058 ChEBI: CHEBI:29021 IUPAC Name: hexane SMILES: CCCCCC

CAS: 2049-80-1 Molecular Formula: C₁₀H₁₆O₄ Molecular Weight (g/mol): 200.23 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: allyl malonic acid, diethyl 2-2-propenyl-1,3-propanedioate, propanedioic acid, 2-propenyl-, diethyl ester, malonic acid, allyl-, diethyl ester, diethyl 2-prop-2-enyl malonate, diethyl prop-2-enylpropanedioate, allylmalonic acid diethyl ester, diethyl 2-allylmalonate, ethyl allylmalonate, diethyl allylmalonate PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC

CAS: 110-83-8 InChI Key: HGCIXCUEYOPUTN-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrobenzene, benzene, tetrahydro, cykloheksen, 1-cyclohexene, hexanaphthylene, benzenetetrahydride, 1,2,3,4-tetrahydrobenzene, benzene tetrahydride, cyclohex-1-ene, tetrahydrobenzene PubChem CID: 8079 ChEBI: CHEBI:36404 IUPAC Name: cyclohexene SMILES: C1CCC=CC1

CAS: 936-58-3 Molecular Formula: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00039617 InChI Key: RGKVZBXSJFAZRE-UHFFFAOYSA-N Synonym: benzenemethanol, .alpha.-2-propenyl, benzenemethanol,a-2-propen-1-yl, 1-phenyl-3-buten-1-ol #, upenn_abs_025, acmc-1bdtt, 1-phenyl-but-3-en-1-ol, 4-phenyl-1-buten-4-ol, 1-phenyl-3-buten-1-ol PubChem CID: 220119 IUPAC Name: 1-phenylbut-3-en-1-ol SMILES: C=CCC(C1=CC=CC=C1)O

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-t-butyl styrene, 1-tert-butyl-4-vinylbenzene, 9pct9cbw0v, 1-1,1-dimethylethyl-4-ethenylbenzene, unii-9pct9cbw0v, styrene, p-tert-butyl, benzene, 1-1,1-dimethylethyl-4-ethenyl, p-t-butylstyrene, p-tert-butylstyrene, 4-tert-butylstyrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: propylbenzene, n, unii-0wr86zhg2z, propyl-benzene, n-propyl benzene, isocumene, 1-propylbenzene, benzene, propyl, phenylpropane, 1-phenylpropane, n-propylbenzene PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

CAS: 110-82-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.16 MDL Number: MFCD00003814 InChI Key: XDTMQSROBMDMFD-UHFFFAOYSA-N Synonym: polycyclohexane, benzenehexahydride, benzene, hexahydro, cyclohexaan, cicloesano, cykloheksan, cyclohexan, hexanaphthene, hexahydrobenzene, hexamethylene PubChem CID: 8078 ChEBI: CHEBI:29005 IUPAC Name: cyclohexane SMILES: C1CCCCC1

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethylhexyne-2,5-diol, unii-22rr53u71w, tetramethyl-2-butynediol, olfine y, 3-hexyne-2,5-diol, 2,5-dimethyl, acetylenepinacol, tetramethylbutynediol, kemitracin-50, dimethylhexynediol, 2,5-dimethyl-3-hexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 930-51-8 Molecular Formula: C7H10 Molecular Weight (g/mol): 94.16 MDL Number: MFCD00013744 InChI Key: TXVJSWLZYQMWPC-UHFFFAOYSA-N Synonym: cyclopentyl-acetylen, ethynyl-cyclopentane, ethynylcylopentane, cyclopentane, ethynyl-7ci, 8ci, 9ci, cyclopentane, ethynyl, cyclopentylethyne, cyclopentyl acetylene, cyclopentylacetylene PubChem CID: 136725 IUPAC Name: ethynylcyclopentane SMILES: C#CC1CCCC1

CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: abape, pinacol allylboronate, allylboronicacidpinacolester, 2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl, allylboronic acid piracol ester, 4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane, allylboronic acid, pinacol cyclic ester, 2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, allylboronic acid pinacol ester PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C

CAS: 2213-32-3 Molecular Formula: C7H14 Molecular Weight (g/mol): 98.189 MDL Number: MFCD00039854 InChI Key: LXQPBCHJNIOMQU-UHFFFAOYSA-N Synonym: 1-pentene, 2,4-dimethyl-8ci 9ci, ch3 2chch2c ch3 =ch2, pentene, 2,4-dimethyl, acmc-1ch0z, 1-pentene, 2,4-dimethyl, 2,4-dimethyl-1-pentene PubChem CID: 16657 IUPAC Name: 2,4-dimethylpent-1-ene SMILES: CC(C)CC(=C)C

CAS: 989-38-8 Molecular Formula: C28H31ClN2O3 Molecular Weight (g/mol): 479.017 MDL Number: MFCD00012665 InChI Key: VYXSBFYARXAAKO-UHFFFAOYSA-N Synonym: Basic Red 1, C.I. 45160 PubChem CID: 51358423 IUPAC Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;hydron;chloride SMILES: [H+].CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]

CAS: 873-73-4 Molecular Formula: C₈H₅Cl Molecular Weight (g/mol): 136.58 MDL Number: MFCD00191917 InChI Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N Synonym: 4-chlorophenylethyne, 1-chlor-4-ethinylbenzol, p-chlorophenyl acetylene, p-chlorophenylacetylene, p-ethynylchlorobenzene, 1-chloro-4-ethynyl-benzene, 4-chlorophenyl acetylene, 4'-chlorophenyl acetylene, benzene, 1-chloro-4-ethynyl, 4-chlorophenylacetylene PubChem CID: 70118 IUPAC Name: 1-chloro-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Cl

CAS: 92-24-0 Molecular Formula: C₁₈H₁₂ Molecular Weight (g/mol): 228.29 InChI Key: IFLREYGFSNHWGE-UHFFFAOYSA-N Synonym: ccris 1183, unii-qyj5z6712r, hydrocarbon, chrysogen, 2,3-benzanthrene, benz b anthracene, rubene, 2,3-benzanthracene, naphthacene PubChem CID: 7080 ChEBI: CHEBI:32600 IUPAC Name: tetracene SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

CAS: 14735-70-7 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD20481984 InChI Key: WBZQHVKGKQXWMW-UHFFFAOYNA-N Synonym: 3-aza-tricyclo 4.2.1.0 2,5 non-7-en-4-one PubChem CID: 130862428 IUPAC Name: 3-azatricyclo[4.2.1.0²,⁵]non-7-en-4-one SMILES: O=C1NC2C1C1CC2C=C1

CAS: 4045-44-7 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.11 MDL Number: MFCD00001354 InChI Key: WQIQNKQYEUMPBM-UHFFFAOYSA-N Synonym: 1,2,3,4,5-pentamethylcyclopentadien, wqiqnkqyeumpbm-uhfffaoysa, acmc-209je4, pubchem20101, 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene, 1,3-cyclopentadiene, pentamethyl, 1,3-cyclopentadiene, 1,2,3,4,5-pentamethyl, cyclopentadiene, 1,2,3,4,5-pentamethyl, pentamethylcyclopentadiene, 1,2,3,4,5-pentamethylcyclopentadiene PubChem CID: 77667 IUPAC Name: 1,2,3,4,5-pentamethylcyclopenta-1,3-diene SMILES: CC1C(=C(C(=C1C)C)C)C

CAS: 92-52-4 Molecular Formula: C12H10 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00003054 InChI Key: ZUOUZKKEUPVFJK-UHFFFAOYSA-N Synonym: carolid al, tetrosin ly, phenador-x, xenene, lemonene, bibenzene, 1,1'-diphenyl, diphenyl, phenylbenzene, biphenyl PubChem CID: 7095 ChEBI: CHEBI:17097 IUPAC Name: 1,1'-biphenyl SMILES: C1=CC=C(C=C1)C1=CC=CC=C1