CAS RN: 54009-70-0
CAS Name: N-(2-acetamidocyclohexyl)acetamide
OPENEYE Name: N-(2-acetamidocyclohexyl)acetamide
IUPAC Name: N-(2-acetamidocyclohexyl)acetamide
SYSTEMATIC NAME: N-(2-acetamidocyclohexyl)ethanamide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(=O)NC1CCCCC1NC(=O)C
Structure:
CAS RN: 6623-09-2
CAS Name: dithiane-3,6-dicarboxylic acid
OPENEYE Name: dithiane-3,6-dicarboxylic acid
IUPAC Name: dithiane-3,6-dicarboxylic acid
SYSTEMATIC NAME: 1,2-dithiane-3,6-dicarboxylic acid
MOLECULAR FORMULA: C6H8O4S2
MOLECULAR WEIGHT: 208.25532
SMILES: C1CC(SSC1C(=O)O)C(=O)O
Structure:
CAS RN: 91270-13-2
CAS Name: 1-nitro-4-[1,2,2-tris(4-nitrophenyl)ethyl]benzene
OPENEYE Name: 1-nitro-4-[1,2,2-tris(4-nitrophenyl)ethyl]benzene
IUPAC Name: 1-nitro-4-[1,2,2-tris(4-nitrophenyl)ethyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[1,2,2-tris(4-nitrophenyl)ethyl]benzene
MOLECULAR FORMULA: C26H18N4O8
MOLECULAR WEIGHT: 514.44312
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 21583-38-0
CAS Name: acetic acid [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2-(2,2,2-trifluoroacetyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2-(2,2,2-trifluoroacetyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H31F3O4
MOLECULAR WEIGHT: 428.48505
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(C(=O)C4)C(=O)C(F)(F)F)C)C
Structure:
CAS RN: 23190-17-2
CAS Name: bis(2-methyl-1-aziridinyl)-phenyl-sulfanylidenephosphorane
OPENEYE Name: bis(2-methylaziridin-1-yl)-phenyl-thioxo-$l^{5}-phosphane
IUPAC Name: bis(2-methylaziridin-1-yl)-phenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(2-methylaziridin-1-yl)-phenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H17N2PS
MOLECULAR WEIGHT: 252.315541
SMILES: CC1CN1P(=S)(C2=CC=CC=C2)N3CC3C
Structure:
CAS RN: 88161-25-5
CAS Name: [4-(1-methylethenyl)phenyl]boronic acid
OPENEYE Name: (4-isopropenylphenyl)boronic acid
IUPAC Name: (4-prop-1-en-2-ylphenyl)boronic acid
SYSTEMATIC NAME: (4-prop-1-en-2-ylphenyl)boronic acid
MOLECULAR FORMULA: C9H11BO2
MOLECULAR WEIGHT: 161.99344
SMILES: B(C1=CC=C(C=C1)C(=C)C)(O)O
Structure:
CAS RN: 87913-21-1
CAS Name: benzoic acid [(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] ester
OPENEYE Name: [(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] benzoate
IUPAC Name: [(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] benzoate
SYSTEMATIC NAME: [(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] benzoate
MOLECULAR FORMULA: C37H54O2
MOLECULAR WEIGHT: 530.82346
SMILES: C[C@H]1C(=CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)OC(=O)C6=CC=CC=C6
Structure:
CAS RN: 81923-89-9
CAS Name: 20-cyclohexyloxyeicosoxycyclohexane
OPENEYE Name: 20-(cyclohexoxy)icosoxycyclohexane
IUPAC Name: 20-cyclohexyloxyicosoxycyclohexane
SYSTEMATIC NAME: 20-cyclohexyloxyicosoxycyclohexane
MOLECULAR FORMULA: C32H62O2
MOLECULAR WEIGHT: 478.83348
SMILES: C1CCC(CC1)OCCCCCCCCCCCCCCCCCCCCOC2CCCCC2
Structure:
CAS RN: 5023-43-8
CAS Name: 2-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acid
OPENEYE Name: 2-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acid
IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acid
SYSTEMATIC NAME: 2-[(3,4,5-trimethoxyphenyl)methyl]butanedioic acid
MOLECULAR FORMULA: C14H18O7
MOLECULAR WEIGHT: 298.28852
SMILES: COC1=CC(=CC(=C1OC)OC)CC(CC(=O)O)C(=O)O
Structure:
CAS RN: 81824-06-8
CAS Name: pentanoic acid octan-2-yl ester
OPENEYE Name: 1-methylheptyl pentanoate
IUPAC Name: octan-2-yl pentanoate
SYSTEMATIC NAME: octan-2-yl pentanoate
MOLECULAR FORMULA: C13H26O2
MOLECULAR WEIGHT: 214.34434
SMILES: CCCCCCC(C)OC(=O)CCCC
Structure:
CAS RN: 81795-93-9
CAS Name: 4-methoxybenzoic acid pentyl ester
OPENEYE Name: pentyl 4-methoxybenzoate
IUPAC Name: pentyl 4-methoxybenzoate
SYSTEMATIC NAME: pentyl 4-methoxybenzoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCCCCOC(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 81732-67-4
CAS Name: 1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
OPENEYE Name: 1,7-dimethyltetralin-1-ol
IUPAC Name: 1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
SYSTEMATIC NAME: 1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=CC2=C(CCCC2(C)O)C=C1
Structure:
CAS RN: 1551-44-6
CAS Name: butanoic acid cyclohexyl ester
OPENEYE Name: cyclohexyl butanoate
IUPAC Name: cyclohexyl butanoate
SYSTEMATIC NAME: cyclohexyl butanoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC(=O)OC1CCCCC1
Structure:
CAS RN: 33474-56-5
CAS Name: (1S,2R)-2-methoxycarbonyl-1-cyclohexanecarboxylic acid
OPENEYE Name: (1S,2R)-2-methoxycarbonylcyclohexanecarboxylic acid
IUPAC Name: (1S,2R)-2-methoxycarbonylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-2-methoxycarbonylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
Structure:
CAS RN: 40288-65-1
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-bromo-ethanone
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-bromanyl-ethanone
MOLECULAR FORMULA: C9H7BrO3
MOLECULAR WEIGHT: 243.05408
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CBr
Structure:
CAS RN: 5329-59-9
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-bromo-ethanone
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-bromanyl-ethanone
MOLECULAR FORMULA: C9H7BrO3
MOLECULAR WEIGHT: 243.05408
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CBr
Structure:
CAS RN: 81673-94-1
CAS Name: 1-(6-hydroxy-4,7-dimethoxy-2,3-dihydrobenzofuran-5-yl)ethanone
OPENEYE Name: 1-(6-hydroxy-4,7-dimethoxy-2,3-dihydrobenzofuran-5-yl)ethanone
IUPAC Name: 1-(6-hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(4,7-dimethoxy-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: CC(=O)C1=C(C2=C(C(=C1O)OC)OCC2)OC
Structure:
CAS RN: 81668-01-1
CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)amino-oxomethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H39Cl2NO3
MOLECULAR WEIGHT: 484.49876
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)N(CCCl)CCCl)C)C
Structure:
CAS RN: 438-07-3
CAS Name: (8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,16R,17R)-17-ethanoyl-10,13-dimethyl-16-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
Structure:
CAS RN: 6938-19-8
CAS Name: 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,7-dimethoxy-2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)OC
Structure:
CAS RN: 6938-18-7
CAS Name: 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-chromen-4-one
IUPAC Name: 2-(4-hydroxyphenyl)-5,6,7-trimethoxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-chromen-4-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)OC
Structure:
CAS RN: 81662-72-8
CAS Name: 12-(1-cyclopent-2-enyl)-2-dodecanone
OPENEYE Name: 12-cyclopent-2-en-1-yldodecan-2-one
IUPAC Name: 12-cyclopent-2-en-1-yldodecan-2-one
SYSTEMATIC NAME: 12-cyclopent-2-en-1-yldodecan-2-one
MOLECULAR FORMULA: C17H30O
MOLECULAR WEIGHT: 250.4195
SMILES: CC(=O)CCCCCCCCCCC1CCC=C1
Structure:
CAS RN: 1827-75-4
CAS Name: acetic acid [(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S,17S)-3,3-bis(fluoranyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C21H32F2O2
MOLECULAR WEIGHT: 354.474386
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(C4)(F)F)C)C
Structure:
CAS RN: 3801-25-0
CAS Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H27FO3
MOLECULAR WEIGHT: 334.424983
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1O)C)O)F)C
Structure:
CAS RN: 45974-07-0
CAS Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H27FO3
MOLECULAR WEIGHT: 334.424983
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1O)C)O)F)C
Structure:
CAS RN: 739-27-5
CAS Name: 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
OPENEYE Name: 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
IUPAC Name: 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
SYSTEMATIC NAME: 10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4=O)C)O
Structure:
CAS RN: 7055-53-0
CAS Name: (6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,11S,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O
Structure:
CAS RN: 83318-25-6
CAS Name: 1-(diphenylmethyl)-2,4-dimethylbenzene
OPENEYE Name: 1-benzhydryl-2,4-dimethyl-benzene
IUPAC Name: 1-benzhydryl-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-(diphenylmethyl)-2,4-dimethyl-benzene
MOLECULAR FORMULA: C21H20
MOLECULAR WEIGHT: 272.3835
SMILES: CC1=CC(=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 83311-76-6
CAS Name: N,N'-diphenylpropanimidamide
OPENEYE Name: N,N'-diphenylpropanamidine
IUPAC Name: N,N'-diphenylpropanimidamide
SYSTEMATIC NAME: N,N'-diphenylpropanimidamide
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CCC(=NC1=CC=CC=C1)NC2=CC=CC=C2
Structure:
CAS RN: 92522-77-5
CAS Name: 2-chloro-2-methylpropanoic acid (4-tert-butyl-2-chlorophenyl) ester
OPENEYE Name: (4-tert-butyl-2-chloro-phenyl) 2-chloro-2-methyl-propanoate
IUPAC Name: (4-tert-butyl-2-chlorophenyl) 2-chloro-2-methylpropanoate
SYSTEMATIC NAME: (4-tert-butyl-2-chloranyl-phenyl) 2-chloranyl-2-methyl-propanoate
MOLECULAR FORMULA: C14H18Cl2O2
MOLECULAR WEIGHT: 289.19752
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC(=O)C(C)(C)Cl)Cl
Structure:
CAS RN: 77156-75-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O6
MOLECULAR WEIGHT: 396.43306
SMILES: CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
Structure:
CAS RN: 6659-45-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O6
MOLECULAR WEIGHT: 396.43306
SMILES: CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
Structure:
CAS RN: 6697-63-8
CAS Name: propanoic acid 9-(1-oxopropoxy)nonyl ester
OPENEYE Name: 9-propanoyloxynonyl propanoate
IUPAC Name: 9-propanoyloxynonyl propanoate
SYSTEMATIC NAME: 9-propanoyloxynonyl propanoate
MOLECULAR FORMULA: C15H28O4
MOLECULAR WEIGHT: 272.38042
SMILES: CCC(=O)OCCCCCCCCCOC(=O)CC
Structure:
CAS RN: 74339-69-8
CAS Name: 1,1-dibutoxycyclohexane
OPENEYE Name: 1,1-dibutoxycyclohexane
IUPAC Name: 1,1-dibutoxycyclohexane
SYSTEMATIC NAME: 1,1-dibutoxycyclohexane
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCOC1(CCCCC1)OCCCC
Structure:
CAS RN: 7155-17-1
CAS Name: 7-benzoyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
OPENEYE Name: 7-benzoyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
IUPAC Name: 7-benzoyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
SYSTEMATIC NAME: 7-(phenylcarbonyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
MOLECULAR FORMULA: C14H9NO2
MOLECULAR WEIGHT: 223.22676
SMILES: C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C2=O
Structure:
CAS RN: 74324-26-8
CAS Name: 3-oxobutanoic acid (4-methylcyclohexyl) ester
OPENEYE Name: (4-methylcyclohexyl) 3-oxobutanoate
IUPAC Name: (4-methylcyclohexyl) 3-oxobutanoate
SYSTEMATIC NAME: (4-methylcyclohexyl) 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CC1CCC(CC1)OC(=O)CC(=O)C
Structure:
CAS RN: 74299-48-2
CAS Name: 3-oxobutanoic acid 2-butoxyethyl ester
OPENEYE Name: 2-butoxyethyl 3-oxobutanoate
IUPAC Name: 2-butoxyethyl 3-oxobutanoate
SYSTEMATIC NAME: 2-butoxyethyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CCCCOCCOC(=O)CC(=O)C
Structure:
CAS RN: 74266-66-3
CAS Name: 3-oxobutanoic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 3-oxobutanoate
IUPAC Name: cyclopentyl 3-oxobutanoate
SYSTEMATIC NAME: cyclopentyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC(=O)CC(=O)OC1CCCC1
Structure:
CAS RN: 74261-14-6
CAS Name: 1-cyclohexyloxy-11-hexatriacontanone
OPENEYE Name: 1-(cyclohexoxy)hexatriacontan-11-one
IUPAC Name: 1-cyclohexyloxyhexatriacontan-11-one
SYSTEMATIC NAME: 1-cyclohexyloxyhexatriacontan-11-one
MOLECULAR FORMULA: C42H82O2
MOLECULAR WEIGHT: 619.09928
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCOC1CCCCC1
Structure:
CAS RN: 6624-76-6
CAS Name: 1-nonacosanol
OPENEYE Name: nonacosan-1-ol
IUPAC Name: nonacosan-1-ol
SYSTEMATIC NAME: nonacosan-1-ol
MOLECULAR FORMULA: C29H60O
MOLECULAR WEIGHT: 424.7861
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Structure:
CAS RN: 7425-60-7
CAS Name: benzoic acid 5-benzoyloxypentyl ester
OPENEYE Name: 5-benzoyloxypentyl benzoate
IUPAC Name: 5-benzoyloxypentyl benzoate
SYSTEMATIC NAME: 5-(phenylcarbonyloxy)pentyl benzoate
MOLECULAR FORMULA: C19H20O4
MOLECULAR WEIGHT: 312.3597
SMILES: C1=CC=C(C=C1)C(=O)OCCCCCOC(=O)C2=CC=CC=C2
Structure:
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