CAS RN: 17851-38-6
CAS Name: 4-cyclohexylbutanoic acid ethyl ester
OPENEYE Name: ethyl 4-cyclohexylbutanoate
IUPAC Name: ethyl 4-cyclohexylbutanoate
SYSTEMATIC NAME: ethyl 4-cyclohexylbutanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCOC(=O)CCCC1CCCCC1
Structure:
CAS RN: 33388-68-0
CAS Name: 5-ethylnonane-2,4-diol
OPENEYE Name: 5-ethylnonane-2,4-diol
IUPAC Name: 5-ethylnonane-2,4-diol
SYSTEMATIC NAME: 5-ethylnonane-2,4-diol
MOLECULAR FORMULA: C11H24O2
MOLECULAR WEIGHT: 188.30706
SMILES: CCCCC(CC)C(CC(C)O)O
Structure:
CAS RN: 27122-53-8
CAS Name: 5-ethyldecane-4,6-diol
OPENEYE Name: 5-ethyldecane-4,6-diol
IUPAC Name: 5-ethyldecane-4,6-diol
SYSTEMATIC NAME: 5-ethyldecane-4,6-diol
MOLECULAR FORMULA: C12H26O2
MOLECULAR WEIGHT: 202.33364
SMILES: CCCCC(C(CC)C(CCC)O)O
Structure:
CAS RN: 4844-16-0
CAS Name: 2,4,5-triphenyl-1,3,2-dioxaborolane
OPENEYE Name: 2,4,5-triphenyl-1,3,2-dioxaborolane
IUPAC Name: 2,4,5-triphenyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2,4,5-triphenyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C20H17BO2
MOLECULAR WEIGHT: 300.15878
SMILES: B1(OC(C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 4844-17-1
CAS Name: 2,4,5-triphenyl-1,3,2-dioxaborole
OPENEYE Name: 2,4,5-triphenyl-1,3,2-dioxaborole
IUPAC Name: 2,4,5-triphenyl-1,3,2-dioxaborole
SYSTEMATIC NAME: 2,4,5-triphenyl-1,3,2-dioxaborole
MOLECULAR FORMULA: C20H15BO2
MOLECULAR WEIGHT: 298.1429
SMILES: B1(OC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 73499-29-3
CAS Name: 2,6-dimethyl-3,5-diphenyl-4-pyranthione
OPENEYE Name: 2,6-dimethyl-3,5-diphenyl-pyran-4-thione
IUPAC Name: 2,6-dimethyl-3,5-diphenylpyran-4-thione
SYSTEMATIC NAME: 2,6-dimethyl-3,5-diphenyl-pyran-4-thione
MOLECULAR FORMULA: C19H16OS
MOLECULAR WEIGHT: 292.39474
SMILES: CC1=C(C(=S)C(=C(O1)C)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 60040-82-6
CAS Name: 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate
IUPAC Name: methyl 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate
SYSTEMATIC NAME: methyl 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: COC(=O)C1=CC=CC=C1CCC2=CC=CC=C2C(=O)OC
Structure:
CAS RN: 56526-10-4
CAS Name: 2-[2-(2-methoxycarbonylphenyl)ethenyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[2-(2-methoxycarbonylphenyl)vinyl]benzoate
IUPAC Name: methyl 2-[2-(2-methoxycarbonylphenyl)ethenyl]benzoate
SYSTEMATIC NAME: methyl 2-[2-(2-methoxycarbonylphenyl)ethenyl]benzoate
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: COC(=O)C1=CC=CC=C1C=CC2=CC=CC=C2C(=O)OC
Structure:
CAS RN: 970-93-4
CAS Name: 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
IUPAC Name: methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
SYSTEMATIC NAME: methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: COC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2C(=O)OC
Structure:
CAS RN: 34491-96-8
CAS Name: 2-bis(phenylmethyl)boranyloxyethanamine
OPENEYE Name: 2-dibenzylboranyloxyethanamine
IUPAC Name: 2-dibenzylboranyloxyethanamine
SYSTEMATIC NAME: 2-bis(phenylmethyl)boranyloxyethanamine
MOLECULAR FORMULA: C16H20BNO
MOLECULAR WEIGHT: 253.1471
SMILES: B(CC1=CC=CC=C1)(CC2=CC=CC=C2)OCCN
Structure:
CAS RN: 30935-14-9
CAS Name: 1,2-diphenylbutane-1,2-diol
OPENEYE Name: 1,2-diphenylbutane-1,2-diol
IUPAC Name: 1,2-diphenylbutane-1,2-diol
SYSTEMATIC NAME: 1,2-diphenylbutane-1,2-diol
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)O)O
Structure:
CAS RN: 18370-16-6
CAS Name: acetic acid 9,10-dihydroanthracen-9-yl ester
OPENEYE Name: 9,10-dihydroanthracen-9-yl acetate
IUPAC Name: 9,10-dihydroanthracen-9-yl acetate
SYSTEMATIC NAME: 9,10-dihydroanthracen-9-yl ethanoate
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC(=O)OC1C2=CC=CC=C2CC3=CC=CC=C13
Structure:
CAS RN: 38399-13-2
CAS Name: 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene
OPENEYE Name: 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene
IUPAC Name: 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene
SYSTEMATIC NAME: 1-bromanyl-2-[2-(2-bromophenyl)ethynyl]benzene
MOLECULAR FORMULA: C14H8Br2
MOLECULAR WEIGHT: 336.02132
SMILES: C1=CC=C(C(=C1)C#CC2=CC=CC=C2Br)Br
Structure:
CAS RN: 24341-80-8
CAS Name: 2-(4-methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
OPENEYE Name: 2-(4-methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
IUPAC Name: 2-(4-methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
MOLECULAR FORMULA: C13H13BN2O
MOLECULAR WEIGHT: 224.06612
SMILES: B1(NC2=CC=CC=C2N1)C3=CC=C(C=C3)OC
Structure:
CAS RN: 77509-50-3
CAS Name: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole
OPENEYE Name: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole
IUPAC Name: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole
SYSTEMATIC NAME: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole
MOLECULAR FORMULA: C12H10BBrN2
MOLECULAR WEIGHT: 272.9362
SMILES: B1(NC2=CC=CC=C2N1)C3=CC=C(C=C3)Br
Structure:
CAS RN: 39581-55-0
CAS Name: 5-methoxy-3-benzofuranone
OPENEYE Name: 5-methoxybenzofuran-3-one
IUPAC Name: 5-methoxy-1-benzofuran-3-one
SYSTEMATIC NAME: 5-methoxy-1-benzofuran-3-one
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: COC1=CC2=C(C=C1)OCC2=O
Structure:
CAS RN: 92527-13-4
CAS Name: 2-butyl-1,3,6,2-dioxazaborocane
OPENEYE Name: 2-butyl-1,3,6,2-dioxazaborocane
IUPAC Name: 2-butyl-1,3,6,2-dioxazaborocane
SYSTEMATIC NAME: 2-butyl-1,3,6,2-dioxazaborocane
MOLECULAR FORMULA: C8H18BNO2
MOLECULAR WEIGHT: 171.04502
SMILES: B1(OCCNCCO1)CCCC
Structure:
CAS RN: 7505-20-6
CAS Name: benzoic acid (5-acetyl-4,7-dimethoxy-2,3-dihydrobenzofuran-6-yl) ester
OPENEYE Name: (5-acetyl-4,7-dimethoxy-2,3-dihydrobenzofuran-6-yl) benzoate
IUPAC Name: (5-acetyl-4,7-dimethoxy-2,3-dihydro-1-benzofuran-6-yl) benzoate
SYSTEMATIC NAME: (5-ethanoyl-4,7-dimethoxy-2,3-dihydro-1-benzofuran-6-yl) benzoate
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: CC(=O)C1=C(C2=C(C(=C1OC(=O)C3=CC=CC=C3)OC)OCC2)OC
Structure:
CAS RN: 7505-19-3
CAS Name: acetic acid (4,6,7-trimethoxy-3-benzofuranyl) ester
OPENEYE Name: (4,6,7-trimethoxybenzofuran-3-yl) acetate
IUPAC Name: (4,6,7-trimethoxy-1-benzofuran-3-yl) acetate
SYSTEMATIC NAME: (4,6,7-trimethoxy-1-benzofuran-3-yl) ethanoate
MOLECULAR FORMULA: C13H14O6
MOLECULAR WEIGHT: 266.24666
SMILES: CC(=O)OC1=COC2=C1C(=CC(=C2OC)OC)OC
Structure:
CAS RN: 7505-18-2
CAS Name: 2-chloroacetic acid (2,4,6-trimethoxyphenyl) ester
OPENEYE Name: (2,4,6-trimethoxyphenyl) 2-chloroacetate
IUPAC Name: (2,4,6-trimethoxyphenyl) 2-chloroacetate
SYSTEMATIC NAME: (2,4,6-trimethoxyphenyl) 2-chloranylethanoate
MOLECULAR FORMULA: C11H13ClO5
MOLECULAR WEIGHT: 260.67092
SMILES: COC1=CC(=C(C(=C1)OC)OC(=O)CCl)OC
Structure:
CAS RN: 4347-73-3
CAS Name: 2-phenylacetic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester
OPENEYE Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-phenylacetate
IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-phenylacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-phenylethanoate
MOLECULAR FORMULA: C22H18O3
MOLECULAR WEIGHT: 330.37652
SMILES: C1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 7505-17-1
CAS Name: 4-hydroxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
OPENEYE Name: 4-hydroxy-1-phenyl-tetralin-2-carboxylic acid
IUPAC Name: 4-hydroxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 4-oxidanyl-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: C1C(C(C2=CC=CC=C2C1O)C3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 7505-16-0
CAS Name: N',N'-diethylpropane-1,3-diamine; 2,4,6-trinitrophenol
OPENEYE Name: N',N'-diethylpropane-1,3-diamine; picric acid
IUPAC Name: N',N'-diethylpropane-1,3-diamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N',N'-diethylpropane-1,3-diamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C13H21N5O7
MOLECULAR WEIGHT: 359.33514
SMILES: CCN(CC)CCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7505-15-9
CAS Name: 2-(diphenylmethyl)-1,3,5-trimethylbenzene
OPENEYE Name: 2-benzhydryl-1,3,5-trimethyl-benzene
IUPAC Name: 2-benzhydryl-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-(diphenylmethyl)-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C22H22
MOLECULAR WEIGHT: 286.41008
SMILES: CC1=CC(=C(C(=C1)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 7505-14-8
CAS Name: N,3-dimethyl-N-phenyl-2-quinolinamine
OPENEYE Name: N,3-dimethyl-N-phenyl-quinolin-2-amine
IUPAC Name: N,3-dimethyl-N-phenylquinolin-2-amine
SYSTEMATIC NAME: N,3-dimethyl-N-phenyl-quinolin-2-amine
MOLECULAR FORMULA: C17H16N2
MOLECULAR WEIGHT: 248.32234
SMILES: CC1=CC2=CC=CC=C2N=C1N(C)C3=CC=CC=C3
Structure:
CAS RN: 7595-50-8
CAS Name: 4,4-dichloro-2-(1-piperazinyl)-3-butenoic acid methyl ester
OPENEYE Name: methyl 4,4-dichloro-2-piperazin-1-yl-but-3-enoate
IUPAC Name: methyl 4,4-dichloro-2-piperazin-1-ylbut-3-enoate
SYSTEMATIC NAME: methyl 4,4-bis(chloranyl)-2-piperazin-1-yl-but-3-enoate
MOLECULAR FORMULA: C9H14Cl2N2O2
MOLECULAR WEIGHT: 253.12566
SMILES: COC(=O)C(C=C(Cl)Cl)N1CCNCC1
Structure:
CAS RN: 7599-27-1
CAS Name: 3-phenylpropanoic acid (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: (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) 3-phenylpropanoate
IUPAC Name: (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) 3-phenylpropanoate
SYSTEMATIC NAME: (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) 3-phenylpropanoate
MOLECULAR FORMULA: C39H58O2
MOLECULAR WEIGHT: 558.87662
SMILES: CC1C(=CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC(=O)CCC6=CC=CC=C6
Structure:
CAS RN: 7599-26-0
CAS Name: 2-phenylacetic acid (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: (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) 2-phenylacetate
IUPAC Name: (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) 2-phenylacetate
SYSTEMATIC NAME: (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) 2-phenylethanoate
MOLECULAR FORMULA: C38H56O2
MOLECULAR WEIGHT: 544.85004
SMILES: CC1C(=CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC(=O)CC6=CC=CC=C6
Structure:
CAS RN: 7770-59-4
CAS Name: N-[(4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C36H54N4O4
MOLECULAR WEIGHT: 606.83836
SMILES: CC1C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC3C1(CCC4C3(CCC5(C4(CCC6(C5CC(CC6)(C)C)C)C)C)C)C
Structure:
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