All Chemical Compounds

Monday, August 1, 2011

All Chemical Compounds Information

Product OPENEYE NAME: trimethoxy(thioxo)-$l^{5}-phosphane
CAS Name: trimethoxy(sulfanylidene)phosphorane
IUPAC NAME: trimethoxy(sulfanylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: trimethoxy(sulfanylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C3H9O3PS
MOLECULAR WEIGHT: 156.140521
SMILES: COP(=S)(OC)OC
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Product OPENEYE NAME: [methoxy(methylsulfanyl)phosphoryl]oxymethane
CAS Name: [methoxy-(methylthio)phosphoryl]oxymethane
IUPAC NAME: [methoxy(methylsulfanyl)phosphoryl]oxymethane
SYSTEMATIC NAME: [methoxy(methylsulfanyl)phosphoryl]oxymethane
MOLECULAR FORMULA: C3H9O3PS
MOLECULAR WEIGHT: 156.140521
SMILES: COP(=O)(OC)SC
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Product OPENEYE NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]ammonium dichloride
CAS Name: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]ammonium dichloride
IUPAC NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium dichloride
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium dichloride
MOLECULAR FORMULA: C30H48Cl2N4O4
MOLECULAR WEIGHT: 599.63252
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC.[Cl-].[Cl-]
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Product OPENEYE NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]ammonium
CAS Name: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]ammonium
IUPAC NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium
MOLECULAR FORMULA: C30H48N4O4+2
MOLECULAR WEIGHT: 528.72652
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC
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Product OPENEYE NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium dichloride
CAS Name: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylammonio]propylamino]-1,2-dioxoethyl]amino]propyl]-diethylammonium dichloride
IUPAC NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium dichloride
SYSTEMATIC NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-azaniumyl]propylamino]-2-oxidanylidene-ethanoyl]amino]propyl]-diethyl-azanium dichloride
MOLECULAR FORMULA: C30H46Cl4N4O2
MOLECULAR WEIGHT: 636.52384
SMILES: CC[N+](CC)(CCCNC(=O)C(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[Cl-].[Cl-]
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Product OPENEYE NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium
CAS Name: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylammonio]propylamino]-1,2-dioxoethyl]amino]propyl]-diethylammonium
IUPAC NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium
SYSTEMATIC NAME: (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-azaniumyl]propylamino]-2-oxidanylidene-ethanoyl]amino]propyl]-diethyl-azanium
MOLECULAR FORMULA: C30H46Cl2N4O2+2
MOLECULAR WEIGHT: 565.61784
SMILES: CC[N+](CC)(CCCNC(=O)C(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl
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Product OPENEYE NAME: benzyl-[2-[[2-[2-[benzyl(diethyl)ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl]-diethyl-ammonium dichloride
CAS Name: 2-[[2-[2-[diethyl-(phenylmethyl)ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-(phenylmethyl)ammonium dichloride
IUPAC NAME: benzyl-[2-[[2-[2-[benzyl(diethyl)azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium dichloride
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-(phenylmethyl)azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-(phenylmethyl)azanium dichloride
MOLECULAR FORMULA: C28H44Cl2N4O2
MOLECULAR WEIGHT: 539.58056
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-].[Cl-]
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Product OPENEYE NAME: benzyl-[2-[[2-[2-[benzyl(diethyl)ammonio]ethylamino]-2-oxo-acetyl]amino]ethyl]-diethyl-ammonium
CAS Name: 2-[[2-[2-[diethyl-(phenylmethyl)ammonio]ethylamino]-1,2-dioxoethyl]amino]ethyl-diethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[2-[[2-[2-[benzyl(diethyl)azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium
SYSTEMATIC NAME: 2-[[2-[2-[diethyl-(phenylmethyl)azaniumyl]ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C28H44N4O2+2
MOLECULAR WEIGHT: 468.67456
SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1)CC2=CC=CC=C2
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Product OPENEYE NAME: (8R,9S,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CAS Name: (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C25H32O2
MOLECULAR WEIGHT: 364.52038
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5
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Product OPENEYE NAME: 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CAS Name: 4-amino-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide
IUPAC NAME: 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H12N4O3S
MOLECULAR WEIGHT: 280.30298
SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
CAS Name: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C11H15Cl2N5
MOLECULAR WEIGHT: 288.1763
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CAS Name: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H14ClN5
MOLECULAR WEIGHT: 251.71536
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C
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Product OPENEYE NAME: (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@@]4(C(=O)CO)O)C
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Product OPENEYE NAME: (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C
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Product OPENEYE NAME: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxo-butyl]chromen-4-one
CAS Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-1-benzopyran-4-one
IUPAC NAME: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one
SYSTEMATIC NAME: 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H15NO6
MOLECULAR WEIGHT: 353.3255
SMILES: CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H29FO4
MOLECULAR WEIGHT: 376.461663
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F
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Product OPENEYE NAME: (5S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (5S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (5S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S)-1,10,13-trimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC1=CC(=O)C[C@H]2C1(C3CCC4(C(C3CC2)CCC4O)C)C
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Product OPENEYE NAME: 5,6,8,9,10,11-hexahydronaphtho[1,2-b]phenanthrene
CAS Name: 5,6,8,9,10,11-hexahydronaphtho[1,2-b]phenanthrene
IUPAC NAME: 5,6,8,9,10,11-hexahydronaphtho[1,2-b]phenanthrene
SYSTEMATIC NAME: 5,6,8,9,10,11-hexahydronaphtho[1,2-b]phenanthrene
MOLECULAR FORMULA: C22H20
MOLECULAR WEIGHT: 284.3942
SMILES: C1CCC2=C(C1)C=CC3=CC4=C(CCC5=CC=CC=C54)C=C23
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Product OPENEYE NAME: 12,13-dihydronaphtho[1,2-b]phenanthrene
CAS Name: 12,13-dihydronaphtho[1,2-b]phenanthrene
IUPAC NAME: 12,13-dihydronaphtho[1,2-b]phenanthrene
SYSTEMATIC NAME: 12,13-dihydronaphtho[1,2-b]phenanthrene
MOLECULAR FORMULA: C22H16
MOLECULAR WEIGHT: 280.36244
SMILES: C1CC2=C(C=C3C=CC4=CC=CC=C4C3=C2)C5=CC=CC=C51
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Product OPENEYE NAME: 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene
CAS Name: 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene
IUPAC NAME: 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene
SYSTEMATIC NAME: 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37832
SMILES: C1CCC2=C(C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C23
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Product OPENEYE NAME: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
IUPAC NAME: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C15H19Cl2N3O2
MOLECULAR WEIGHT: 344.23626
SMILES: C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)CC(C(=O)O)N
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Product OPENEYE NAME: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N
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Product OPENEYE NAME: 3-(2-hydroxyethyl)-1H-indol-5-ol
CAS Name: 3-(2-hydroxyethyl)-1H-indol-5-ol
IUPAC NAME: 3-(2-hydroxyethyl)-1H-indol-5-ol
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-1H-indol-5-ol
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1=CC2=C(C=C1O)C(=CN2)CCO
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All Chemical Compounds Information

Product OPENEYE NAME: 3,6-dimethyloctan-3-ol
CAS Name: 3,6-dimethyl-3-octanol
IUPAC NAME: 3,6-dimethyloctan-3-ol
SYSTEMATIC NAME: 3,6-dimethyloctan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCC(C)CCC(C)(CC)O
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Product OPENEYE NAME: dinonyl hexanedioate
CAS Name: hexanedioic acid dinonyl ester
IUPAC NAME: dinonyl hexanedioate
SYSTEMATIC NAME: dinonyl hexanedioate
MOLECULAR FORMULA: C24H46O4
MOLECULAR WEIGHT: 398.61964
SMILES: CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC
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Product OPENEYE NAME: acetic acid; 2-methoxyethylmercury
CAS Name: acetic acid; 2-methoxyethylmercury
IUPAC NAME: acetic acid; 2-methoxyethylmercury
SYSTEMATIC NAME: ethanoic acid; 2-methoxyethylmercury
MOLECULAR FORMULA: C5H11HgO3
MOLECULAR WEIGHT: 319.72904
SMILES: CC(=O)O.COCC[Hg]
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Product OPENEYE NAME: 2-methoxyethylmercury
CAS Name: 2-methoxyethylmercury
IUPAC NAME: 2-methoxyethylmercury
SYSTEMATIC NAME: 2-methoxyethylmercury
MOLECULAR FORMULA: C3H7HgO
MOLECULAR WEIGHT: 259.67708
SMILES: COCC[Hg]
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Product OPENEYE NAME: potassium cyanide
CAS Name: potassium cyanide
IUPAC NAME: potassium cyanide
SYSTEMATIC NAME: potassium cyanide
MOLECULAR FORMULA: CKN
MOLECULAR WEIGHT: 65.1157
SMILES: [C-]#N.[K+]
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Product OPENEYE NAME: aziridine
CAS Name: aziridine
IUPAC NAME: aziridine
SYSTEMATIC NAME: aziridine
MOLECULAR FORMULA: C2H5N
MOLECULAR WEIGHT: 43.0678
SMILES: C1CN1
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Product OPENEYE NAME: 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C
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Product OPENEYE NAME: azepan-1-yl-bis(aziridin-1-yl)-thioxo-$l^{5}-phosphane
CAS Name: 1-azepanyl-bis(1-aziridinyl)-sulfanylidenephosphorane
IUPAC NAME: azepan-1-yl-bis(aziridin-1-yl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: azepan-1-yl-bis(aziridin-1-yl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H20N3PS
MOLECULAR WEIGHT: 245.324661
SMILES: C1CCCN(CC1)P(=S)(N2CC2)N3CC3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25NO
MOLECULAR WEIGHT: 283.4079
SMILES: C=CCN1CC[C@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O
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Product OPENEYE NAME: N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methyl-methanamine
CAS Name: N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methylmethanamine
IUPAC NAME: N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methylmethanamine
SYSTEMATIC NAME: N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methyl-methanamine
MOLECULAR FORMULA: C8H24N4O3P2
MOLECULAR WEIGHT: 286.248682
SMILES: CN(C)P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C
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All Chemical Compounds Information

Product OPENEYE NAME: 4-(4-fluorophenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(4-fluorophenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(4-fluorophenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C14H14FN3
MOLECULAR WEIGHT: 243.279463
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 4-methoxyphenol
CAS Name: 4-methoxyphenol
IUPAC NAME: 4-methoxyphenol
SYSTEMATIC NAME: 4-methoxyphenol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: COC1=CC=C(C=C1)O
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Product OPENEYE NAME: 1,4-dimethoxybenzene
CAS Name: 1,4-dimethoxybenzene
IUPAC NAME: 1,4-dimethoxybenzene
SYSTEMATIC NAME: 1,4-dimethoxybenzene
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: COC1=CC=C(C=C1)OC
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Product OPENEYE NAME: 3,7-dimethyloct-6-enyl acetate
CAS Name: acetic acid 3,7-dimethyloct-6-enyl ester
IUPAC NAME: 3,7-dimethyloct-6-enyl acetate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl ethanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(CCC=C(C)C)CCOC(=O)C
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Product OPENEYE NAME: zinc butoxymethanedithioate
CAS Name: zinc butoxymethanedithioate
IUPAC NAME: zinc butoxymethanedithioate
SYSTEMATIC NAME: zinc butoxymethanedithioate
MOLECULAR FORMULA: C10H18O2S4Zn
MOLECULAR WEIGHT: 363.91772
SMILES: CCCCOC(=S)[S-].CCCCOC(=S)[S-].[Zn+2]
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Product OPENEYE NAME: disodium butanedioate
CAS Name: disodium butanedioate
IUPAC NAME: disodium butanedioate
SYSTEMATIC NAME: disodium butanedioate
MOLECULAR FORMULA: C4H4Na2O4
MOLECULAR WEIGHT: 162.0517
SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: trimethyl(pentyl)ammonium bromide
CAS Name: trimethyl(pentyl)ammonium bromide
IUPAC NAME: trimethyl(pentyl)azanium bromide
SYSTEMATIC NAME: trimethyl(pentyl)azanium bromide
MOLECULAR FORMULA: C8H20BrN
MOLECULAR WEIGHT: 210.1551
SMILES: CCCCC[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: trimethyl(pentyl)ammonium
CAS Name: trimethyl(pentyl)ammonium
IUPAC NAME: trimethyl(pentyl)azanium
SYSTEMATIC NAME: trimethyl(pentyl)azanium
MOLECULAR FORMULA: C8H20N+
MOLECULAR WEIGHT: 130.2511
SMILES: CCCCC[N+](C)(C)C
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Product OPENEYE NAME: 2-methylpropanal oxime
CAS Name: 2-methylpropanal oxime
IUPAC NAME: N-(2-methylpropylidene)hydroxylamine
SYSTEMATIC NAME: N-(2-methylpropylidene)hydroxylamine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 87.12036
SMILES: CC(C)C=NO
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Product OPENEYE NAME: (1,1-dimethyl-2-phenyl-ethyl) acetate
CAS Name: acetic acid (2-methyl-1-phenylpropan-2-yl) ester
IUPAC NAME: (2-methyl-1-phenylpropan-2-yl) acetate
SYSTEMATIC NAME: (2-methyl-1-phenyl-propan-2-yl) ethanoate
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(=O)OC(C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: 1,3-dimethoxybenzene
CAS Name: 1,3-dimethoxybenzene
IUPAC NAME: 1,3-dimethoxybenzene
SYSTEMATIC NAME: 1,3-dimethoxybenzene
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: COC1=CC(=CC=C1)OC
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Product OPENEYE NAME: butyl 12-hydroxyoctadec-9-enoate
CAS Name: 12-hydroxy-9-octadecenoic acid butyl ester
IUPAC NAME: butyl 12-hydroxyoctadec-9-enoate
SYSTEMATIC NAME: butyl 12-oxidanyloctadec-9-enoate
MOLECULAR FORMULA: C22H42O3
MOLECULAR WEIGHT: 354.56708
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O
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All Chemical Compounds Information

Product OPENEYE NAME: 1,1-dioxo-6-(trifluoromethyl)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
CAS Name: 1,1-dioxo-6-(trifluoromethyl)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
IUPAC NAME: 1,1-dioxo-6-(trifluoromethyl)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-6-(trifluoromethyl)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
MOLECULAR FORMULA: C8H6F3N3O4S2
MOLECULAR WEIGHT: 329.27615
SMILES: C1=C(C(=CC2=C1NC=NS2(=O)=O)S(=O)(=O)N)C(F)(F)F
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Product OPENEYE NAME: N'-[(5-chloro-2-thienyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine
CAS Name: N'-[(5-chloro-2-thiophenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine
IUPAC NAME: N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-[(5-chloranylthiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C14H18ClN3S
MOLECULAR WEIGHT: 295.83082
SMILES: CN(C)CCN(CC1=CC=C(S1)Cl)C2=CC=CC=N2
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Product OPENEYE NAME: 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoic acid
CAS Name: 4-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]amino]benzoic acid
IUPAC NAME: 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoic acid
SYSTEMATIC NAME: 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoic acid
MOLECULAR FORMULA: C18H18Cl2N2O4
MOLECULAR WEIGHT: 397.25252
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl
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Product OPENEYE NAME: 3-(N-ethylanilino)propanenitrile
CAS Name: 3-(N-ethylanilino)propanenitrile
IUPAC NAME: 3-(N-ethylanilino)propanenitrile
SYSTEMATIC NAME: 3-[ethyl(phenyl)amino]propanenitrile
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CCN(CCC#N)C1=CC=CC=C1
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Product OPENEYE NAME: butane-1,2,3,4-tetrol
CAS Name: butane-1,2,3,4-tetrol
IUPAC NAME: butane-1,2,3,4-tetrol
SYSTEMATIC NAME: butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C4H10O4
MOLECULAR WEIGHT: 122.1198
SMILES: C(C(C(CO)O)O)O
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Product OPENEYE NAME: hydroxymethanesulfinic acid
CAS Name: hydroxymethanesulfinic acid
IUPAC NAME: hydroxymethanesulfinic acid
SYSTEMATIC NAME: oxidanylmethanesulfinic acid
MOLECULAR FORMULA: CH4O3S
MOLECULAR WEIGHT: 96.10566
SMILES: C(O)S(=O)O
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Product OPENEYE NAME: disodium 4,5-dihydroxybenzene-1,3-disulfonate
CAS Name: disodium 4,5-dihydroxybenzene-1,3-disulfonate
IUPAC NAME: disodium 4,5-dihydroxybenzene-1,3-disulfonate
SYSTEMATIC NAME: disodium 4,5-bis(oxidanyl)benzene-1,3-disulfonate
MOLECULAR FORMULA: C6H4Na2O8S2
MOLECULAR WEIGHT: 314.2007
SMILES: C1=C(C=C(C(=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 4,5-dihydroxybenzene-1,3-disulfonic acid
CAS Name: 4,5-dihydroxybenzene-1,3-disulfonic acid
IUPAC NAME: 4,5-dihydroxybenzene-1,3-disulfonic acid
SYSTEMATIC NAME: 4,5-bis(oxidanyl)benzene-1,3-disulfonic acid
MOLECULAR FORMULA: C6H6O8S2
MOLECULAR WEIGHT: 270.23704
SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30BrNO4
MOLECULAR WEIGHT: 440.3712
SMILES: CCCC[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30NO4+
MOLECULAR WEIGHT: 360.4672
SMILES: CCCC[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C
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Product OPENEYE NAME: trimethoxymethane
CAS Name: trimethoxymethane
IUPAC NAME: trimethoxymethane
SYSTEMATIC NAME: trimethoxymethane
MOLECULAR FORMULA: C4H10O3
MOLECULAR WEIGHT: 106.1204
SMILES: COC(OC)OC
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Product OPENEYE NAME: dichloro-methyl-phenyl-silane
CAS Name: dichloro-methyl-phenylsilane
IUPAC NAME: dichloro-methyl-phenylsilane
SYSTEMATIC NAME: bis(chloranyl)-methyl-phenyl-silane
MOLECULAR FORMULA: C7H8Cl2Si
MOLECULAR WEIGHT: 191.12992
SMILES: C[Si](C1=CC=CC=C1)(Cl)Cl
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Product OPENEYE NAME: 3-methoxyphenol
CAS Name: 3-methoxyphenol
IUPAC NAME: 3-methoxyphenol
SYSTEMATIC NAME: 3-methoxyphenol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: COC1=CC=CC(=C1)O
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Product OPENEYE NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
CAS Name: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
IUPAC NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
SYSTEMATIC NAME: trisodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoate
MOLECULAR FORMULA: C10H13N2Na3O8
MOLECULAR WEIGHT: 358.18813
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: triethyl borate
CAS Name: triethyl borate
IUPAC NAME: triethyl borate
SYSTEMATIC NAME: triethyl borate
MOLECULAR FORMULA: C6H15BO3
MOLECULAR WEIGHT: 145.9925
SMILES: B(OCC)(OCC)OCC
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Product OPENEYE NAME: trisodium 2-[bis(carboxylatomethylsulfanyl)bismuthanylsulfanyl]acetate
CAS Name: trisodium 2-[bis(carboxylatomethylthio)bismuthinothio]acetate
IUPAC NAME: trisodium 2-[bis(carboxylatomethylsulfanyl)bismuthanylsulfanyl]acetate
SYSTEMATIC NAME: trisodium 2-bis[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl]bismuthanylsulfanylethanoate
MOLECULAR FORMULA: C6H6BiNa3O6S3
MOLECULAR WEIGHT: 548.25293
SMILES: C(C(=O)[O-])S[Bi](SCC(=O)[O-])SCC(=O)[O-].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: tris(butylsulfanyl)phosphane
CAS Name: tris(butylthio)phosphine
IUPAC NAME: tris(butylsulfanyl)phosphane
SYSTEMATIC NAME: tris(butylsulfanyl)phosphane
MOLECULAR FORMULA: C12H27PS3
MOLECULAR WEIGHT: 298.511541
SMILES: CCCCSP(SCCCC)SCCCC
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Product OPENEYE NAME: (benzyldisulfanyl)methylbenzene
CAS Name: [(phenylmethyl)disulfanyl]methylbenzene
IUPAC NAME: (benzyldisulfanyl)methylbenzene
SYSTEMATIC NAME: [(phenylmethyl)disulfanyl]methylbenzene
MOLECULAR FORMULA: C14H14S2
MOLECULAR WEIGHT: 246.39096
SMILES: C1=CC=C(C=C1)CSSCC2=CC=CC=C2
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Product OPENEYE NAME: (4-ethoxyphenyl)urea
CAS Name: (4-ethoxyphenyl)urea
IUPAC NAME: (4-ethoxyphenyl)urea
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)urea
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CCOC1=CC=C(C=C1)NC(=O)N
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All Chemical Compounds Information

Product OPENEYE NAME: (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(2-ethoxynaphthalen-1-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H22N2O5S
MOLECULAR WEIGHT: 414.47478
SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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Product OPENEYE NAME: 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
CAS Name: 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
IUPAC NAME: 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O3
MOLECULAR WEIGHT: 156.13932
SMILES: CC1=C(C(=O)NC(=O)N1)CO
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Product OPENEYE NAME: dipotassium (2R,3R)-2,3-dihydroxybutanedioate
CAS Name: dipotassium (2R,3R)-2,3-dihydroxybutanedioate
IUPAC NAME: dipotassium (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dipotassium (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4K2O6
MOLECULAR WEIGHT: 226.26756
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]
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Product OPENEYE NAME: (2S,3R)-2,3,4,5-tetrahydroxypentanal
CAS Name: (2S,3R)-2,3,4,5-tetrahydroxypentanal
IUPAC NAME: (2S,3R)-2,3,4,5-tetrahydroxypentanal
SYSTEMATIC NAME: (2S,3R)-2,3,4,5-tetrakis(oxidanyl)pentanal
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C(C([C@H]([C@@H](C=O)O)O)O)O
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Product OPENEYE NAME: 2,4,6-tribromoaniline
CAS Name: 2,4,6-tribromoaniline
IUPAC NAME: 2,4,6-tribromoaniline
SYSTEMATIC NAME: 2,4,6-tris(bromanyl)aniline
MOLECULAR FORMULA: C6H4Br3N
MOLECULAR WEIGHT: 329.81466
SMILES: C1=C(C=C(C(=C1Br)N)Br)Br
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Product OPENEYE NAME: diethylcarbamodithioic acid
CAS Name: diethylcarbamodithioic acid
IUPAC NAME: diethylcarbamodithioic acid
SYSTEMATIC NAME: diethylcarbamodithioic acid
MOLECULAR FORMULA: C5H11NS2
MOLECULAR WEIGHT: 149.27754
SMILES: CCN(CC)C(=S)S
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Product OPENEYE NAME: (2R)-pyrrolidine-2-carboxylic acid
CAS Name: (2R)-2-pyrrolidinecarboxylic acid
IUPAC NAME: (2R)-pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1C[C@@H](NC1)C(=O)O
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Product OPENEYE NAME: (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
CAS Name: (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
IUPAC NAME: (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C28H48O2
MOLECULAR WEIGHT: 416.67952
SMILES: CC1=CC(=C(C2=C1O[C@](CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
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Product OPENEYE NAME: 2-hydroxy-3-methoxy-benzaldehyde
CAS Name: 2-hydroxy-3-methoxybenzaldehyde
IUPAC NAME: 2-hydroxy-3-methoxybenzaldehyde
SYSTEMATIC NAME: 3-methoxy-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: COC1=CC=CC(=C1O)C=O
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All Chemical Compounds Information

Product OPENEYE NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid [tris[[dimethylamino(sulfanylidene)methyl]thio]-$l^{4}-selanyl] ester
IUPAC NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C12H24N4S8Se
MOLECULAR WEIGHT: 559.82576
SMILES: CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C
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Product OPENEYE NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholino-ethanone
CAS Name: 2-(dimethoxyphosphinothioylthio)-1-(4-morpholinyl)ethanone
IUPAC NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C8H16NO4PS2
MOLECULAR WEIGHT: 285.320701
SMILES: COP(=S)(OC)SCC(=O)N1CCOCC1
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Product OPENEYE NAME: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
CAS Name: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
IUPAC NAME: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
SYSTEMATIC NAME: disodium [[4-[4-(sulfinatomethylamino)phenyl]sulfonylphenyl]amino]methanesulfinate
MOLECULAR FORMULA: C14H14N2Na2O6S3
MOLECULAR WEIGHT: 448.4453
SMILES: C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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Product OPENEYE NAME: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-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,17S)-17-[(1S)-1-hydroxyethyl]-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,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
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Product OPENEYE NAME: 2-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
CAS Name: 2-[[1-oxo-4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[4-[(3R,7R,12S)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
MOLECULAR FORMULA: C26H45NO7S
MOLECULAR WEIGHT: 515.703
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](CC4C3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 1,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid
CAS Name: 1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid
IUPAC NAME: 1,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C14H8O7S
MOLECULAR WEIGHT: 320.27412
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)S(=O)(=O)O)O
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Product OPENEYE NAME: 7-chloroindan-4-ol
CAS Name: 7-chloro-2,3-dihydro-1H-inden-4-ol
IUPAC NAME: 7-chloro-2,3-dihydro-1H-inden-4-ol
SYSTEMATIC NAME: 7-chloranyl-2,3-dihydro-1H-inden-4-ol
MOLECULAR FORMULA: C9H9ClO
MOLECULAR WEIGHT: 168.62016
SMILES: C1CC2=C(C=CC(=C2C1)Cl)O
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C27H33N9O15P2
MOLECULAR WEIGHT: 785.549742
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O
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Product OPENEYE NAME: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
CAS Name: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
IUPAC NAME: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
MOLECULAR FORMULA: C17H21N4O9P
MOLECULAR WEIGHT: 456.343801
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O
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Product OPENEYE NAME: 6-allyl-5,7-dihydrobenzo[d][2]benzazepine
CAS Name: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
IUPAC NAME: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
SYSTEMATIC NAME: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
MOLECULAR FORMULA: C17H17N
MOLECULAR WEIGHT: 235.32358
SMILES: C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
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Product OPENEYE NAME: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (R)-(6-methoxy-4-quinolyl)-[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
IUPAC NAME: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
MOLECULAR FORMULA: C32H40N2O14
MOLECULAR WEIGHT: 676.665
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
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Product OPENEYE NAME: diisohexyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester
IUPAC NAME: bis(4-methylpentyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(4-methylpentyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
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Product OPENEYE NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-acridin-9-yl)-N'-ethyl-propane-1,3-diamine dihydrochloride
CAS Name: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-9-acridinyl)-N'-ethylpropane-1,3-diamine dihydrochloride
IUPAC NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine dihydrochloride
SYSTEMATIC NAME: N-(6-chloranyl-2-methoxy-acridin-9-yl)-N'-(2-chloroethyl)-N'-ethyl-propane-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C21H27Cl4N3O
MOLECULAR WEIGHT: 479.27058
SMILES: CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl
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Product OPENEYE NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-acridin-9-yl)-N'-ethyl-propane-1,3-diamine
CAS Name: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-9-acridinyl)-N'-ethylpropane-1,3-diamine
IUPAC NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine
SYSTEMATIC NAME: N-(6-chloranyl-2-methoxy-acridin-9-yl)-N'-(2-chloroethyl)-N'-ethyl-propane-1,3-diamine
MOLECULAR FORMULA: C21H25Cl2N3O
MOLECULAR WEIGHT: 406.3487
SMILES: CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl
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Product OPENEYE NAME: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxy-hexanal
CAS Name: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
IUPAC NAME: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
SYSTEMATIC NAME: (2R,3S,4R,5R)-3-methoxy-2,4,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12ClN5O4
MOLECULAR WEIGHT: 301.68638
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)Cl
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12FN5O4
MOLECULAR WEIGHT: 285.231783
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)F
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Product OPENEYE NAME: silver 2,4,6-trinitrophenolate
CAS Name: silver 2,4,6-trinitrophenolate
IUPAC NAME: silver 2,4,6-trinitrophenolate
SYSTEMATIC NAME: silver 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C6H2AgN3O7
MOLECULAR WEIGHT: 335.96418
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Ag+]
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O11P2
MOLECULAR WEIGHT: 443.200522
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H16CuN8
MOLECULAR WEIGHT: 576.06904
SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]
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Product OPENEYE NAME: 2-benzhydryloxy-N,N-dimethyl-ethanamine hydrochloride
CAS Name: 2-(diphenylmethyl)oxy-N,N-dimethylethanamine hydrochloride
IUPAC NAME: 2-benzhydryloxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
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Product OPENEYE NAME: 2,2,4-trimethyl-1H-quinoline
CAS Name: 2,2,4-trimethyl-1H-quinoline
IUPAC NAME: 2,2,4-trimethyl-1H-quinoline
SYSTEMATIC NAME: 2,2,4-trimethyl-1H-quinoline
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CC1=CC(NC2=CC=CC=C12)(C)C
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All Chemical Compounds Information

Product OPENEYE NAME: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CAS Name: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
IUPAC NAME: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
SYSTEMATIC NAME: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
MOLECULAR FORMULA: C10H22O5
MOLECULAR WEIGHT: 222.27868
SMILES: COCCOCCOCCOCCOC
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Product OPENEYE NAME: hexadecan-1-amine
CAS Name: 1-hexadecanamine
IUPAC NAME: hexadecan-1-amine
SYSTEMATIC NAME: hexadecan-1-amine
MOLECULAR FORMULA: C16H35N
MOLECULAR WEIGHT: 241.4558
SMILES: CCCCCCCCCCCCCCCCN
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Product OPENEYE NAME: octadec-9-en-1-ol
CAS Name: 9-octadecen-1-ol
IUPAC NAME: octadec-9-en-1-ol
SYSTEMATIC NAME: octadec-9-en-1-ol
MOLECULAR FORMULA: C18H36O
MOLECULAR WEIGHT: 268.47784
SMILES: CCCCCCCCC=CCCCCCCCCO
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Product OPENEYE NAME: 1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
CAS Name: 1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
IUPAC NAME: 1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
SYSTEMATIC NAME: 1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
MOLECULAR FORMULA: C17H36O6
MOLECULAR WEIGHT: 336.46414
SMILES: CCCCOCCOCCOCOCCOCCOCCCC
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Product OPENEYE NAME: sodium cyanide
CAS Name: sodium cyanide
IUPAC NAME: sodium cyanide
SYSTEMATIC NAME: sodium cyanide
MOLECULAR FORMULA: CNNa
MOLECULAR WEIGHT: 49.00717
SMILES: [C-]#N.[Na+]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: C[C@]12C(=O)CC[C@@H]3[C@]14CCN([C@H]3CC5=C4C(=C(C=C5)O)O2)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H63NO14
MOLECULAR WEIGHT: 793.93722
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O
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Product OPENEYE NAME: 3-[(3S,5R,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CCC4C5=CC(=O)OC5)O)C)O
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Product OPENEYE NAME: tetraphenylboranuide
CAS Name: tetraphenylboranuide
IUPAC NAME: tetraphenylboranuide
SYSTEMATIC NAME: tetraphenylboranuide
MOLECULAR FORMULA: C24H20B-
MOLECULAR WEIGHT: 319.2266
SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-bromo-1-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]ethanone
CAS Name: 2-bromo-1-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]ethanone
IUPAC NAME: 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-bromanyl-1-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C20H22BrNO2
MOLECULAR WEIGHT: 388.29818
SMILES: C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CBr
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Product OPENEYE NAME: 2-chloro-1-[1-[hydroxy(diphenyl)methyl]-4-piperidyl]ethanone
CAS Name: 2-chloro-1-[1-[hydroxy(diphenyl)methyl]-4-piperidinyl]ethanone
IUPAC NAME: 2-chloro-1-[1-[hydroxy(diphenyl)methyl]piperidin-4-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[1-[oxidanyl(diphenyl)methyl]piperidin-4-yl]ethanone
MOLECULAR FORMULA: C20H22ClNO2
MOLECULAR WEIGHT: 343.84718
SMILES: C1CN(CCC1C(=O)CCl)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-2-iodo-ethanone
CAS Name: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-2-iodoethanone
IUPAC NAME: 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-iodoethanone
SYSTEMATIC NAME: 2-iodanyl-1-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C20H22INO2
MOLECULAR WEIGHT: 435.29865
SMILES: C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CI
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Product OPENEYE NAME: 5-ethyl-5-hexyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H20N2O3
MOLECULAR WEIGHT: 240.2988
SMILES: CCCCCCC1(C(=O)NC(=O)NC1=O)CC
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Product OPENEYE NAME: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl-piperidine-4-carboxylate
CAS Name: 1-[2-(4-aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C22H28N2O2
MOLECULAR WEIGHT: 352.46992
SMILES: CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
CAS Name: 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
IUPAC NAME: 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-1,3-dioxolan-4-yl]ethanoic acid
MOLECULAR FORMULA: C7H8O7
MOLECULAR WEIGHT: 204.13422
SMILES: C1OC(=O)C(O1)(CC(=O)O)CC(=O)O
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Product OPENEYE NAME: 2,2,4-trimethylpentane-1,3-diol
CAS Name: 2,2,4-trimethylpentane-1,3-diol
IUPAC NAME: 2,2,4-trimethylpentane-1,3-diol
SYSTEMATIC NAME: 2,2,4-trimethylpentane-1,3-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)C(C(C)(C)CO)O
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Product OPENEYE NAME: disodium methyl-dioxido-oxo-$l^{5}-arsane
CAS Name: disodium methyl-dioxido-oxoarsorane
IUPAC NAME: disodium methyl-dioxido-oxo-$l^{5}-arsane
SYSTEMATIC NAME: disodium methyl-bis(oxidanidyl)-oxidanylidene-$l^{5}-arsane
MOLECULAR FORMULA: CH3AsNa2O3
MOLECULAR WEIGHT: 183.93386
SMILES: C[As](=O)([O-])[O-].[Na+].[Na+]
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Product OPENEYE NAME: methylarsonic acid
CAS Name: methylarsonic acid
IUPAC NAME: methylarsonic acid
SYSTEMATIC NAME: methylarsonic acid
MOLECULAR FORMULA: CH5AsO3
MOLECULAR WEIGHT: 139.9702
SMILES: C[As](=O)(O)O
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Product OPENEYE NAME: magnesium 3-carboxy-3-hydroxy-pentanedioate
CAS Name: magnesium 3-carboxy-3-hydroxypentanedioate
IUPAC NAME: magnesium 3-carboxy-3-hydroxypentanedioate
SYSTEMATIC NAME: magnesium 3-carboxy-3-oxidanyl-pentanedioate
MOLECULAR FORMULA: C6H6MgO7
MOLECULAR WEIGHT: 214.41264
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Mg+2]
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Product OPENEYE NAME: disodium 3-carboxy-3-hydroxy-pentanedioate
CAS Name: disodium 3-carboxy-3-hydroxypentanedioate
IUPAC NAME: disodium 3-carboxy-3-hydroxypentanedioate
SYSTEMATIC NAME: disodium 3-carboxy-3-oxidanyl-pentanedioate
MOLECULAR FORMULA: C6H6Na2O7
MOLECULAR WEIGHT: 236.08718
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Na+].[Na+]
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