CAS RN: 6785-34-8
CAS Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
OPENEYE Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,6-dihydroxy-5-(hydroxymethyl)-1-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
IUPAC Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SYSTEMATIC NAME: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-6-(hydroxymethyl)-5,7-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
MOLECULAR FORMULA: C27H48O6
MOLECULAR WEIGHT: 468.66642
SMILES: C[C@H](CC[C@H](C(CO)CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:
CAS RN: 78598-43-3
CAS Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
OPENEYE Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,6-dihydroxy-5-(hydroxymethyl)-1-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
IUPAC Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SYSTEMATIC NAME: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-6-(hydroxymethyl)-5,7-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
MOLECULAR FORMULA: C27H48O6
MOLECULAR WEIGHT: 468.66642
SMILES: C[C@H](CC[C@H](C(CO)CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:
CAS RN: 6745-93-3
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid hydrate
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid hydrate
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid hydrate
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid hydrate
MOLECULAR FORMULA: C20H24N8O6
MOLECULAR WEIGHT: 472.45456
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O
Structure:
CAS RN: 6729-55-1
CAS Name: (2S)-2-amino-5-(carboxymethylamino)-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-(carboxymethylamino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-(carboxymethylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-(2-hydroxy-2-oxoethylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C7H12N2O5
MOLECULAR WEIGHT: 204.18058
SMILES: C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N
Structure:
CAS RN: 77769-31-4
CAS Name: (3aR,6S,6aS)-6-(4-carboxybutyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid
OPENEYE Name: (3aR,6S,6aS)-6-(4-carboxybutyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid
IUPAC Name: (3aR,6S,6aS)-6-(4-carboxybutyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid
SYSTEMATIC NAME: (3aR,6S,6aS)-2-oxidanylidene-6-(5-oxidanyl-5-oxidanylidene-pentyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid
MOLECULAR FORMULA: C11H16N2O5S
MOLECULAR WEIGHT: 288.32014
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2C(=O)O
Structure:
CAS RN: 77172-69-1
CAS Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaz
OPENEYE Name: (2S)-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)ca
IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaza
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[[(4R,7S,13S,16R)-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,1
MOLECULAR FORMULA: C45H69N11O12S2
MOLECULAR WEIGHT: 1020.22586
SMILES: CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC(CC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 443965-94-4
CAS Name: chromium(3+); hydron; 5-methyl-4-(2-oxido-5-sulfamoylphenyl)azo-2-(4-sulfamoylphenyl)-3-pyrazololate
OPENEYE Name: chromic; hydron; 5-methyl-4-(2-oxido-5-sulfamoyl-phenyl)azo-2-(4-sulfamoylphenyl)pyrazol-3-olate
IUPAC Name: chromium(3+); hydron; 5-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-2-(4-sulfamoylphenyl)pyrazol-3-olate
SYSTEMATIC NAME: chromium(3+); hydron; 5-methyl-4-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-2-(4-sulfamoylphenyl)pyrazol-3-olate
MOLECULAR FORMULA: C32H29CrN12O12S4
MOLECULAR WEIGHT: 953.90196
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3]
Structure:
CAS RN: 131723-42-7
CAS Name: (2R,3R,4R,5R)-4-[[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,3,5,6-tetrahydroxyhexanal
OPENEYE Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O
Structure:
CAS RN: 6587-31-1
CAS Name: (2R,3R,4R,5R)-4-[[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,3,5,6-tetrahydroxyhexanal
OPENEYE Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O
Structure:
CAS RN: 6561-58-6
CAS Name: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
OPENEYE Name: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
IUPAC Name: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
SYSTEMATIC NAME: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CCCC(C)C(=O)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
Structure:
CAS RN: 73621-21-3
CAS Name: disodium 3-chloro-4-[4-[4-[[4-[[1-(2-chloro-6-methyl-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-phenylmethyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate
OPENEYE Name: disodium 3-chloro-4-[4-[4-[[4-[[1-(2-chloro-6-methyl-4-sulfonato-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-phenyl-methyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate
IUPAC Name: disodium 3-chloro-4-[4-[[4-[[4-[[1-(2-chloro-6-methyl-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate
SYSTEMATIC NAME: disodium 3-chloranyl-4-[4-[[4-[[4-[[1-(2-chloranyl-6-methyl-4-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]-phenyl-methyl]phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate
MOLECULAR FORMULA: C41H32Cl2N8Na2O8S2
MOLECULAR WEIGHT: 945.75712
SMILES: CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(C4=CC=CC=C4)C5=CC=C(C=C5)N=NC6C(=NN(C6=O)C7=C(C=C(C=C7C)S(=O)(=O)[O-])Cl)C)Cl)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 6535-61-1
CAS Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonatoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate
OPENEYE Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonato-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate
IUPAC Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 2-methyl-5-[[4-[(4-methyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C28H20N2Na2O8S2
MOLECULAR WEIGHT: 622.57654
SMILES: CC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC(=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 85248-90-4
CAS Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonatoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate
OPENEYE Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonato-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate
IUPAC Name: disodium 2-methyl-5-[[4-(4-methyl-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 2-methyl-5-[[4-[(4-methyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C28H20N2Na2O8S2
MOLECULAR WEIGHT: 622.57654
SMILES: CC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC(=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 6515-37-3
CAS Name: 2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-(4-hydroxyphenyl)chroman-4-one
IUPAC Name: 2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O3
MOLECULAR WEIGHT: 240.25398
SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O
Structure:
CAS RN: 7338-43-4
CAS Name: N-(2-amino-2-oxoethyl)-2-mercaptopropanamide
OPENEYE Name: N-(2-amino-2-oxo-ethyl)-2-sulfanyl-propanamide
IUPAC Name: N-(2-amino-2-oxoethyl)-2-sulfanylpropanamide
SYSTEMATIC NAME: N-(2-azanyl-2-oxidanylidene-ethyl)-2-sulfanyl-propanamide
MOLECULAR FORMULA: C5H10N2O2S
MOLECULAR WEIGHT: 162.2101
SMILES: CC(C(=O)NCC(=O)N)S
Structure:
CAS RN: 6450-77-7
CAS Name: 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-3-pyridin-1-iumcarboxylate
OPENEYE Name: 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate
IUPAC Name: 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylate
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
MOLECULAR FORMULA: C21H26N6O15P2
MOLECULAR WEIGHT: 664.409862
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=C4N=CN=C5N)O)O)O)O)C(=O)[O-]
Structure:
CAS RN: 29689-14-3
CAS Name: chromium(3+) tricarbonate
OPENEYE Name: dichromic tricarbonate
IUPAC Name: chromium(3+) tricarbonate
SYSTEMATIC NAME: chromium(3+) tricarbonate
MOLECULAR FORMULA: C3Cr2O9
MOLECULAR WEIGHT: 284.0189
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Cr+3].[Cr+3]
Structure:
CAS RN: 15525-22-1
CAS Name: cobalt(3+); 2-[[4-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-1-naphthalenone; hydron; 2-(4-nitro-2-oxidophenyl)azo-1-naphthalenolate
OPENEYE Name: cobaltic; 2-[[4-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-1-one; hydron; 2-(4-nitro-2-oxido-phenyl)azonaphthalen-1-olate
IUPAC Name: cobalt(3+); 2-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-1-one; hydron; 2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
SYSTEMATIC NAME: 2-[[4-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-1-one; cobalt(3+); hydron; 2-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-1-olate
MOLECULAR FORMULA: C32H19CoN6O8
MOLECULAR WEIGHT: 674.46186
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2[O-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C2=O.[Co+3]
Structure:
CAS RN: 64540-41-6
CAS Name: cobalt(3+); 2-[[4-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-1-naphthalenone; hydron; 2-(4-nitro-2-oxidophenyl)azo-1-naphthalenolate
OPENEYE Name: cobaltic; 2-[[4-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-1-one; hydron; 2-(4-nitro-2-oxido-phenyl)azonaphthalen-1-olate
IUPAC Name: cobalt(3+); 2-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-1-one; hydron; 2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
SYSTEMATIC NAME: 2-[[4-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-1-one; cobalt(3+); hydron; 2-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-1-olate
MOLECULAR FORMULA: C32H19CoN6O8
MOLECULAR WEIGHT: 674.46186
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2[O-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C2=O.[Co+3]
Structure:
CAS RN: 6384-73-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]4[C@@H]2CC(=O)O4)CC[C@H]5[C@@]3([C@H]6CN[C@@H](C5)O6)C
Structure:
CAS RN: 6381-59-5
CAS Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate
OPENEYE Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate
IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate
SYSTEMATIC NAME: potassium sodium (2R,3R)-2,3-bis(oxidanyl)butanedioate tetrahydrate
MOLECULAR FORMULA: C4H12KNaO10
MOLECULAR WEIGHT: 282.22015
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
Structure:
CAS RN: 6292-01-9
CAS Name: calcium 2-propenoate
OPENEYE Name: calcium prop-2-enoate
IUPAC Name: calcium prop-2-enoate
SYSTEMATIC NAME: calcium prop-2-enoate
MOLECULAR FORMULA: C6H6CaO4
MOLECULAR WEIGHT: 182.18744
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Ca+2]
Structure:
CAS RN: 6271-59-6
CAS Name: 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene
OPENEYE Name: 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene
IUPAC Name: 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene
MOLECULAR FORMULA: C16H18O4
MOLECULAR WEIGHT: 274.31172
SMILES: COC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC
Structure:
CAS RN: 6244-92-4
CAS Name: dodecanethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] dodecanethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] dodecanethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] dodecanethioate
MOLECULAR FORMULA: C33H58N7O17P3S
MOLECULAR WEIGHT: 949.836603
SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 6244-91-3
CAS Name: 3-methylbutanethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate
MOLECULAR FORMULA: C26H44N7O17P3S
MOLECULAR WEIGHT: 851.650543
SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 66907-69-5
CAS Name: 1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3R,4S,5R)-4-bromanyl-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11BrN2O5
MOLECULAR WEIGHT: 307.09804
SMILES: C1=CN(C(=O)NC1=O)C2[C@H]([C@@H]([C@H](O2)CO)Br)O
Structure:
CAS RN: 12550-39-9
CAS Name: praseodymium(3+) triacetate
OPENEYE Name: praseodymium(3+) triacetate
IUPAC Name: praseodymium(3+) triacetate
SYSTEMATIC NAME: praseodymium(3+) triethanoate
MOLECULAR FORMULA: C6H9O6Pr
MOLECULAR WEIGHT: 318.03971
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pr+3]
Structure:
CAS RN: 16922-02-4
CAS Name: praseodymium(3+) triacetate
OPENEYE Name: praseodymium(3+) triacetate
IUPAC Name: praseodymium(3+) triacetate
SYSTEMATIC NAME: praseodymium(3+) triethanoate
MOLECULAR FORMULA: C6H9O6Pr
MOLECULAR WEIGHT: 318.03971
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pr+3]
Structure:
CAS RN: 6680-73-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO7
MOLECULAR WEIGHT: 369.40948
SMILES: C[C@@H]1C(C(C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)C1(C)O)(CO)O)C
Structure:
CAS RN: 66556-23-8
CAS Name: phosphoric acid (4-cyanophenyl) diethyl ester
OPENEYE Name: (4-cyanophenyl) diethyl phosphate
IUPAC Name: (4-cyanophenyl) diethyl phosphate
SYSTEMATIC NAME: (4-cyanophenyl) diethyl phosphate
MOLECULAR FORMULA: C11H14NO4P
MOLECULAR WEIGHT: 255.206921
SMILES: CCOP(=O)(OCC)OC1=CC=C(C=C1)C#N
Structure:
CAS RN: 54351-43-8
CAS Name: 1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone
OPENEYE Name: 1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone
IUPAC Name: 1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrakis(oxidanyl)butyl]-1H-pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C11H17NO5
MOLECULAR WEIGHT: 243.25638
SMILES: CC1=C(C=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)C
Structure:
CAS RN: 6027-23-2
CAS Name: 4-[2-(dimethylamino)ethyl]phenol hydrochloride
OPENEYE Name: 4-[2-(dimethylamino)ethyl]phenol hydrochloride
IUPAC Name: 4-[2-(dimethylamino)ethyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-(dimethylamino)ethyl]phenol hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CN(C)CCC1=CC=C(C=C1)O.Cl
Structure:
CAS RN: 6018-92-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
OPENEYE Name: trinickelous dicitrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
SYSTEMATIC NAME: nickel(2+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C12H10Ni3O14
MOLECULAR WEIGHT: 554.2796
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ni+2].[Ni+2].[Ni+2]
Structure:
CAS RN: 22605-92-1
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
OPENEYE Name: trinickelous dicitrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
SYSTEMATIC NAME: nickel(2+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C12H10Ni3O14
MOLECULAR WEIGHT: 554.2796
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ni+2].[Ni+2].[Ni+2]
Structure:
CAS RN: 6008-91-9
CAS Name: 2-methyl-2-propenethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate
MOLECULAR FORMULA: C25H40N7O17P3S
MOLECULAR WEIGHT: 835.608083
SMILES: CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 6001-14-5
CAS Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-4-imidazolecarboxylic acid
OPENEYE Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxylic acid
IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
MOLECULAR FORMULA: C9H14N3O9P
MOLECULAR WEIGHT: 339.195921
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O
Structure:
CAS RN: 5996-06-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26BrNO4
MOLECULAR WEIGHT: 436.33944
SMILES: CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC.Br
Structure:
CAS RN: 5984-80-5
CAS Name: 6,7-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
OPENEYE Name: 6,7-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
IUPAC Name: 6,7-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 6,7-dimethyl-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C17H20N4O6
MOLECULAR WEIGHT: 376.3639
SMILES: CC1=C(C2=C(C=C1)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O)C
Structure:
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