Product OPENEYE NAME: diethyl-[2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium; 2,4,6-trinitrophenolate
CAS Name: diethyl-[2-[2-[(4-propylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium; 2,4,6-trinitrophenolate
IUPAC NAME: diethyl-[2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: diethyl-[2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C34H35N9O14S
MOLECULAR WEIGHT: 825.7586
SMILES: CCCC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
CAS Name: N,N-diethyl-2-[2-[(4-propylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethanamine
IUPAC NAME: N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
MOLECULAR FORMULA: C22H30N3S+
MOLECULAR WEIGHT: 368.5587
SMILES: CCCC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC
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Product OPENEYE NAME: 4,5-dihydroxynaphthalene-1,2-dione
CAS Name: 4,5-dihydroxynaphthalene-1,2-dione
IUPAC NAME: 4,5-dihydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 4,5-bis(oxidanyl)naphthalene-1,2-dione
MOLECULAR FORMULA: C10H6O4
MOLECULAR WEIGHT: 190.15224
SMILES: C1=CC2=C(C(=C1)O)C(=CC(=O)C2=O)O
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Product OPENEYE NAME: [tert-butyl(chloro)phosphoryl]benzene
CAS Name: [tert-butyl(chloro)phosphoryl]benzene
IUPAC NAME: [tert-butyl(chloro)phosphoryl]benzene
SYSTEMATIC NAME: [tert-butyl(chloranyl)phosphoryl]benzene
MOLECULAR FORMULA: C10H14ClOP
MOLECULAR WEIGHT: 216.644321
SMILES: CC(C)(C)P(=O)(C1=CC=CC=C1)Cl
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Product OPENEYE NAME: 3-methylcyclobut-2-ene-1,2-dicarboxylic acid
CAS Name: 3-methylcyclobut-2-ene-1,2-dicarboxylic acid
IUPAC NAME: 3-methylcyclobut-2-ene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 3-methylcyclobut-2-ene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: CC1=C(C(C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)-N,N-dimethyl-ethanamine
CAS Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)-N,N-dimethylethanamine
IUPAC NAME: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CN(C)CCOC1CC2=CC=CC=C2OC3=CC=CC=C13
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Product OPENEYE NAME: 6-chloro-2-phenyl-1H-benzimidazole hydrate
CAS Name: 6-chloro-2-phenyl-1H-benzimidazole hydrate
IUPAC NAME: 6-chloro-2-phenyl-1H-benzimidazole hydrate
SYSTEMATIC NAME: 6-chloranyl-2-phenyl-1H-benzimidazole hydrate
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.O
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Product OPENEYE NAME: 6-chloro-2-phenyl-1H-benzimidazole
CAS Name: 6-chloro-2-phenyl-1H-benzimidazole
IUPAC NAME: 6-chloro-2-phenyl-1H-benzimidazole
SYSTEMATIC NAME: 6-chloranyl-2-phenyl-1H-benzimidazole
MOLECULAR FORMULA: C13H9ClN2
MOLECULAR WEIGHT: 228.67696
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl
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Product OPENEYE NAME: 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
CAS Name: 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
IUPAC NAME: 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C14H19N3O
MOLECULAR WEIGHT: 245.32016
SMILES: CC1=CC2=C(C=C1)N(CC3CCCCN3C2)N=O
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Product OPENEYE NAME: N,N-diethyl-4-(4-ethylphenyl)azo-aniline
CAS Name: N,N-diethyl-4-(4-ethylphenyl)azoaniline
IUPAC NAME: N,N-diethyl-4-[(4-ethylphenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N-diethyl-4-[(4-ethylphenyl)diazenyl]aniline
MOLECULAR FORMULA: C18H23N3
MOLECULAR WEIGHT: 281.39532
SMILES: CCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(CC)CC
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Product OPENEYE NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethyl-ammonium chloride
CAS Name: 2-[2-[(4-ethoxyphenyl)thio]-1-benzimidazolyl]ethyl-diethylammonium chloride
IUPAC NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C21H28ClN3OS
MOLECULAR WEIGHT: 405.98452
SMILES: CC[NH+](CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)OCC.[Cl-]
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Product OPENEYE NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]-N,N-diethyl-ethanamine
CAS Name: 2-[2-[(4-ethoxyphenyl)thio]-1-benzimidazolyl]-N,N-diethylethanamine
IUPAC NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C21H27N3OS
MOLECULAR WEIGHT: 369.52358
SMILES: CCN(CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)OCC
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Product OPENEYE NAME: [4-[[3-[2-(diethylammonio)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethyl-ammonium trichloride
CAS Name: [4-[[3-[2-(diethylammonio)ethyl]-1H-benzimidazol-3-ium-2-yl]thio]phenyl]-diethylammonium trichloride
IUPAC NAME: [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride
SYSTEMATIC NAME: [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethyl-azanium trichloride
MOLECULAR FORMULA: C23H35Cl3N4S
MOLECULAR WEIGHT: 505.9748
SMILES: CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)[NH+](CC)CC.[Cl-].[Cl-].[Cl-]
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Product OPENEYE NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethyl-aniline
CAS Name: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]thio]-N,N-diethylaniline
IUPAC NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethylaniline
SYSTEMATIC NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethyl-aniline
MOLECULAR FORMULA: C23H33N4S+
MOLECULAR WEIGHT: 397.59992
SMILES: CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)N(CC)CC
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Product OPENEYE NAME: diethyl-[2-[2-[4-(ethylammonio)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium trichloride
CAS Name: diethyl-[2-[2-[[4-(ethylammonio)phenyl]thio]-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium trichloride
IUPAC NAME: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride
SYSTEMATIC NAME: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride
MOLECULAR FORMULA: C21H31Cl3N4S
MOLECULAR WEIGHT: 477.92164
SMILES: CC[NH2+]C1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.[Cl-].[Cl-].[Cl-]
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Product OPENEYE NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethyl-aniline
CAS Name: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]thio]-N-ethylaniline
IUPAC NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethylaniline
SYSTEMATIC NAME: 4-[[3-[2-(diethylamino)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethyl-aniline
MOLECULAR FORMULA: C21H29N4S+
MOLECULAR WEIGHT: 369.54676
SMILES: CCNC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC
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Product OPENEYE NAME: (4-amino-3-methyl-phenyl)-phenyl-methanone
CAS Name: (4-amino-3-methylphenyl)-phenylmethanone
IUPAC NAME: (4-amino-3-methylphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-azanyl-3-methyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)acetamide
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetamide
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N
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Product OPENEYE NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methyl-ammonium bromide
CAS Name: 2-[bis(methylthio)phosphorylthio]ethyl-diethyl-methylammonium bromide
IUPAC NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methylazanium bromide
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methyl-azanium bromide
MOLECULAR FORMULA: C9H23BrNOPS3
MOLECULAR WEIGHT: 368.357781
SMILES: CC[N+](C)(CC)CCSP(=O)(SC)SC.[Br-]
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Product OPENEYE NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methyl-ammonium
CAS Name: 2-[bis(methylthio)phosphorylthio]ethyl-diethyl-methylammonium
IUPAC NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methylazanium
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C9H23NOPS3+
MOLECULAR WEIGHT: 288.453781
SMILES: CC[N+](C)(CC)CCSP(=O)(SC)SC
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Product OPENEYE NAME: hept-1-en-3-ol
CAS Name: 1-hepten-3-ol
IUPAC NAME: hept-1-en-3-ol
SYSTEMATIC NAME: hept-1-en-3-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCCCC(C=C)O
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Product OPENEYE NAME: isobutyl 2-(2,4,5-trichlorophenoxy)acetate
CAS Name: 2-(2,4,5-trichlorophenoxy)acetic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 2-(2,4,5-trichlorophenoxy)acetate
SYSTEMATIC NAME: 2-methylpropyl 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C12H13Cl3O3
MOLECULAR WEIGHT: 311.58882
SMILES: CC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: 2-ethyl-3-hydroxy-pyran-4-one
CAS Name: 2-ethyl-3-hydroxy-4-pyranone
IUPAC NAME: 2-ethyl-3-hydroxypyran-4-one
SYSTEMATIC NAME: 2-ethyl-3-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: CCC1=C(C(=O)C=CO1)O
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Product OPENEYE NAME: 2-benzylidene-5-hydroxy-4-phenyl-furan-3-one
CAS Name: 5-hydroxy-4-phenyl-2-(phenylmethylene)-3-furanone
IUPAC NAME: 2-benzylidene-5-hydroxy-4-phenylfuran-3-one
SYSTEMATIC NAME: 5-oxidanyl-4-phenyl-2-(phenylmethylidene)furan-3-one
MOLECULAR FORMULA: C17H12O3
MOLECULAR WEIGHT: 264.27538
SMILES: C1=CC=C(C=C1)C=C2C(=O)C(=C(O2)O)C3=CC=CC=C3
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