CAS RN: 8067-16-1
CAS Name: N,N-diethyl-4-hydroxy-3-methoxybenzamide; 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione; 3,4,5-trimethoxybenzoic acid [3,6-bis(methylimino)-8-[oxo-(3,4,5-trimethoxyphenyl)methoxy]octyl] ester
OPENEYE Name: [3,6-bis(methylimino)-8-(3,4,5-trimethoxybenzoyl)oxy-octyl] 3,4,5-trimethoxybenzoate; N,N-diethyl-4-hydroxy-3-methoxy-benzamide; 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: [3,6-bis(methylimino)-8-(3,4,5-trimethoxybenzoyl)oxyoctyl] 3,4,5-trimethoxybenzoate; N,N-diethyl-4-hydroxy-3-methoxybenzamide; 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: [3,6-bis(methylimino)-8-(3,4,5-trimethoxyphenyl)carbonyloxy-octyl] 3,4,5-trimethoxybenzoate; N,N-diethyl-3-methoxy-4-oxidanyl-benzamide; 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C51H69N7O16
MOLECULAR WEIGHT: 1036.13086
SMILES: CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC.CN=C(CCC(=NC)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
Structure:
CAS RN: 8066-16-8
CAS Name: ethaneperoxoic acid; hydrogen peroxide; sulfuric acid
OPENEYE Name: hydrogen peroxide; peroxyacetic acid; sulfuric acid
IUPAC Name: ethaneperoxoic acid; hydrogen peroxide; sulfuric acid
SYSTEMATIC NAME: ethaneperoxoic acid; hydrogen peroxide; sulfuric acid
MOLECULAR FORMULA: C2H8O9S
MOLECULAR WEIGHT: 208.14452
SMILES: CC(=O)OO.OO.OS(=O)(=O)O
Structure:
CAS RN: 8065-22-3
CAS Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-(methylthio)-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; N2,N4-diisopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-methylsulfanyl-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C17H31ClN10S
MOLECULAR WEIGHT: 443.01304
SMILES: CCNC1=NC(=NC(=N1)Cl)NCC.CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
Structure:
CAS RN: 8065-05-2
CAS Name: disodium; 4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidin-2-olate; 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate
OPENEYE Name: disodium; 5-allyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; 5-ethyl-5-isopentyl-4,6-dioxo-1H-pyrimidin-2-olate
IUPAC Name: disodium; 4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidin-2-olate; 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate
SYSTEMATIC NAME: disodium; 4,6-bis(oxidanylidene)-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidin-2-olate; 5-ethyl-5-(3-methylbutyl)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate
MOLECULAR FORMULA: C23H34N4Na2O6
MOLECULAR WEIGHT: 508.5188
SMILES: CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC=C.CCC1(C(=O)NC(=NC1=O)[O-])CCC(C)C.[Na+].[Na+]
Structure:
CAS RN: 8057-98-5
CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol; hydrochloride
OPENEYE Name: 1,3-dimethyl-7H-purine-2,6-dione; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; hydrochloride
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; hydrochloride
SYSTEMATIC NAME: 1,3-dimethyl-7H-purine-2,6-dione; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; hydrochloride
MOLECULAR FORMULA: C29H36ClN7O6
MOLECULAR WEIGHT: 614.09244
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.Cl
Structure:
CAS RN: 8015-48-3
CAS Name: 4,9-dimethoxy-7-furo[3,2-g][1]benzopyranone; 4-methoxy-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4-methoxyfuro[3,2-g]chromen-7-one
IUPAC Name: 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4-methoxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4-methoxyfuro[3,2-g]chromen-7-one
MOLECULAR FORMULA: C25H18O9
MOLECULAR WEIGHT: 462.40502
SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3.COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
Structure:
CAS RN: 7166-86-1
CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester; bromide
OPENEYE Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide
IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate; bromide
SYSTEMATIC NAME: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate; bromide
MOLECULAR FORMULA: C38H40BrClN4O4
MOLECULAR WEIGHT: 732.1056
SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]
Structure:
CAS RN: 8015-20-1
CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester; bromide
OPENEYE Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide
IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate; bromide
SYSTEMATIC NAME: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate; bromide
MOLECULAR FORMULA: C38H40BrClN4O4
MOLECULAR WEIGHT: 732.1056
SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]
Structure:
CAS RN: 26006-65-5
CAS Name: cadmium(2+); oxygen(2-); tungsten
OPENEYE Name: cadmium(2+); oxygen(2-); tungsten
IUPAC Name: cadmium(2+); oxygen(2-); tungsten
SYSTEMATIC NAME: cadmium(2+); oxygen(2-); tungsten
MOLECULAR FORMULA: CdO4W-6
MOLECULAR WEIGHT: 360.2486
SMILES: [O-2].[O-2].[O-2].[O-2].[Cd+2].[W]
Structure:
CAS RN: 26006-69-9
CAS Name: cadmium(2+); oxygen(2-); tungsten
OPENEYE Name: cadmium(2+); oxygen(2-); tungsten
IUPAC Name: cadmium(2+); oxygen(2-); tungsten
SYSTEMATIC NAME: cadmium(2+); oxygen(2-); tungsten
MOLECULAR FORMULA: CdO4W-6
MOLECULAR WEIGHT: 360.2486
SMILES: [O-2].[O-2].[O-2].[O-2].[Cd+2].[W]
Structure:
CAS RN: 52037-44-2
CAS Name: cadmium(2+); oxygen(2-); tungsten
OPENEYE Name: cadmium(2+); oxygen(2-); tungsten
IUPAC Name: cadmium(2+); oxygen(2-); tungsten
SYSTEMATIC NAME: cadmium(2+); oxygen(2-); tungsten
MOLECULAR FORMULA: CdO4W-6
MOLECULAR WEIGHT: 360.2486
SMILES: [O-2].[O-2].[O-2].[O-2].[Cd+2].[W]
Structure:
CAS RN: 7755-01-3
CAS Name: (3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
OPENEYE Name: (3S,8R,9R,10R,12R,13R,14S,17S)-17-[(1R)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
IUPAC Name: (3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
SYSTEMATIC NAME: (3S,8R,9R,10R,12R,13R,14S,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
MOLECULAR FORMULA: C30H52O3
MOLECULAR WEIGHT: 460.73208
SMILES: CC(=CCC[C@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C
Structure:
CAS RN: 7730-00-9
CAS Name: sulfuric acid [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C21H34O5S
MOLECULAR WEIGHT: 398.55666
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C
Structure:
CAS RN: 7616-83-3
CAS Name: mercury(2+) diperchlorate
OPENEYE Name: mercuric diperchlorate
IUPAC Name: mercury(2+) diperchlorate
SYSTEMATIC NAME: mercury(2+) diperchlorate
MOLECULAR FORMULA: Cl2HgO8
MOLECULAR WEIGHT: 399.4912
SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Hg+2]
Structure:
CAS RN: 10168-99-7
CAS Name: ammonium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
OPENEYE Name: ammonium ferric citrate
IUPAC Name: azanium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
SYSTEMATIC NAME: azanium; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H9FeNO7+
MOLECULAR WEIGHT: 262.98316
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Fe+3]
Structure:
CAS RN: 1332-98-5
CAS Name: ammonium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
OPENEYE Name: ammonium ferric citrate
IUPAC Name: azanium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
SYSTEMATIC NAME: azanium; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H9FeNO7+
MOLECULAR WEIGHT: 262.98316
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Fe+3]
Structure:
CAS RN: 6989-21-5
CAS Name: (4aS,8aR)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran
OPENEYE Name: (4aS,8aR)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran
IUPAC Name: (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
SYSTEMATIC NAME: (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C
Structure:
CAS RN: 6902-72-3
CAS Name: (3aS,5R,5aS,7R,8R,8aS,9aR)-7,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
OPENEYE Name: (3aS,5R,5aS,7R,8R,8aS,9aR)-7,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC Name: (3aS,5R,5aS,7R,8R,8aS,9aR)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (3aS,5R,5aS,7R,8R,8aS,9aR)-5,8a-dimethyl-1-methylidene-7,8-bis(oxidanyl)-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1C[C@H]([C@@H]3O)O)C)C(=C)C(=O)O2
Structure:
CAS RN: 6892-79-1
CAS Name: (3R,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
OPENEYE Name: (3R,8R,9R,10R,12R,13R,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
IUPAC Name: (3R,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
SYSTEMATIC NAME: (3R,8R,9R,10R,12R,13R,14S,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
MOLECULAR FORMULA: C30H52O3
MOLECULAR WEIGHT: 460.73208
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)C
Structure:
CAS RN: 6869-99-4
CAS Name: (3S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
Structure:
CAS RN: 6807-82-5
CAS Name: (2S)-2-[[(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-carboxy-1-oxobutyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C24H26N8O9
MOLECULAR WEIGHT: 570.51144
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Structure:
CAS RN: 6591-56-6
CAS Name: dibismuth (2R,3R)-2,3-dihydroxybutanedioate
OPENEYE Name: dibismuth (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: dibismuth (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dibismuth (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C12H12Bi2O18
MOLECULAR WEIGHT: 862.17364
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Bi+3].[Bi+3]
Structure:
CAS RN: 6196-57-2
CAS Name: (4S,5R)-1,4,5,6-tetrahydroxy-2-hexanone
OPENEYE Name: (4S,5R)-1,4,5,6-tetrahydroxyhexan-2-one
IUPAC Name: (4S,5R)-1,4,5,6-tetrahydroxyhexan-2-one
SYSTEMATIC NAME: (4S,5R)-1,4,5,6-tetrakis(oxidanyl)hexan-2-one
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C([C@@H]([C@@H](CO)O)O)C(=O)CO
Structure:
CAS RN: 6082-19-5
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(methoxyamino)-2-pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(methoxyamino)pyrimidin-2-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O6
MOLECULAR WEIGHT: 273.2426
SMILES: CONC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 6060-30-6
CAS Name: hexanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexoxy)propyl] ester
OPENEYE Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] hexanoate
SYSTEMATIC NAME: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
MOLECULAR FORMULA: C17H34NO8P
MOLECULAR WEIGHT: 411.427521
SMILES: CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC
Structure:
CAS RN: 5986-55-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C[C@H]1CC[C@@]2([C@@]3([C@@H]1C[C@H](C2(C)C)CC3)C)O
Structure:
CAS RN: 1366-08-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C[C@H]1CC[C@@]2([C@@]3([C@@H]1C[C@H](C2(C)C)CC3)C)O
Structure:
CAS RN: 26545-82-4
CAS Name: (2S)-2-amino-3-phenylpropanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S)-2-amino-3-phenyl-propanoate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-phenylpropanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-azanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C19H22N6O5
MOLECULAR WEIGHT: 414.41518
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)N
Structure:
CAS RN: 5956-81-0
CAS Name: (2S)-2-amino-3-phenylpropanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S)-2-amino-3-phenyl-propanoate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-phenylpropanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-azanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C19H22N6O5
MOLECULAR WEIGHT: 414.41518
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)N
Structure:
CAS RN: 5878-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O
Structure:
CAS RN: 5854-11-5
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H21N5O6
MOLECULAR WEIGHT: 439.42134
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 5762-92-5
CAS Name: 5,9-dimethyl-2-furo[2,3-h][1]benzopyranone
OPENEYE Name: 5,9-dimethylfuro[2,3-h]chromen-2-one
IUPAC Name: 5,9-dimethylfuro[2,3-h]chromen-2-one
SYSTEMATIC NAME: 5,9-dimethylfuro[2,3-h]chromen-2-one
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: CC1=CC2=C(C(=CO2)C)C3=C1C=CC(=O)O3
Structure:
CAS RN: 5624-35-1
CAS Name: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoyl-1-pyridin-1-iumyl)-4-hydroxy-3-oxolanolate
OPENEYE Name: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-tetrahydrofuran-3-olate
IUPAC Name: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(3-aminocarbonylpyridin-1-ium-1-yl)-5-[[[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-olate
MOLECULAR FORMULA: C21H27N7O15P2
MOLECULAR WEIGHT: 679.424502
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O)O)[O-])C(=O)N
Structure:
CAS RN: 5262-39-5
CAS Name: 2-(carboxymethylamino)-2-oxoacetic acid
OPENEYE Name: 2-(carboxymethylamino)-2-oxo-acetic acid
IUPAC Name: 2-(carboxymethylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C4H5NO5
MOLECULAR WEIGHT: 147.0862
SMILES: C(C(=O)O)NC(=O)C(=O)O
Structure:
CAS RN: 5130-29-0
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
Structure:
CAS RN: 5116-37-0
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyridinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-2-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-2-one
MOLECULAR FORMULA: C10H13NO5
MOLECULAR WEIGHT: 227.21392
SMILES: C1=CC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 4492-74-4
CAS Name: butanedioic acid; (2,5-dioxo-4-imidazolidinyl)urea
OPENEYE Name: (2,5-dioxoimidazolidin-4-yl)urea; succinic acid
IUPAC Name: butanedioic acid; (2,5-dioxoimidazolidin-4-yl)urea
SYSTEMATIC NAME: 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; butanedioic acid
MOLECULAR FORMULA: C8H12N4O7
MOLECULAR WEIGHT: 276.20348
SMILES: C(CC(=O)O)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N
Structure:
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