CAS RN: 13446-34-9
CAS Name: dichloromanganese tetrahydrate
OPENEYE Name: dichloromanganese tetrahydrate
IUPAC Name: dichloromanganese tetrahydrate
SYSTEMATIC NAME: bis(chloranyl)manganese tetrahydrate
MOLECULAR FORMULA: Cl2H8MnO4
MOLECULAR WEIGHT: 197.905169
SMILES: O.O.O.O.Cl[Mn]Cl
Structure:
CAS RN: 191667-37-5
CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,4,5-trihydroxy-2-oxanyl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(1S,2R,3R)-3-amino-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-azanyl-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H40N2O18
MOLECULAR WEIGHT: 632.5663
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)O)O)O)O
Structure:
CAS RN: 35890-39-2
CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-2-oxanyl]methoxy]-2-oxanecarboxylic acid
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H39NO19
MOLECULAR WEIGHT: 633.55106
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O
Structure:
CAS RN: 126151-66-4
CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-amino-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-azanyl-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H40N2O18
MOLECULAR WEIGHT: 632.5663
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)O)O
Structure:
CAS RN: 5653-80-5
CAS Name: (6S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone
OPENEYE Name: (6S)-6-(dimethylamino)-4,4-diphenyl-heptan-3-one
IUPAC Name: (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
SYSTEMATIC NAME: (6S)-6-(dimethylamino)-4,4-diphenyl-heptan-3-one
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 10030-19-0
CAS Name: (2-hydroxy-3-oxopropyl) phosphate
OPENEYE Name: (2-hydroxy-3-oxo-propyl) phosphate
IUPAC Name: (2-hydroxy-3-oxopropyl) phosphate
SYSTEMATIC NAME: (2-oxidanyl-3-oxidanylidene-propyl) phosphate
MOLECULAR FORMULA: C3H5O6P-2
MOLECULAR WEIGHT: 168.041961
SMILES: C(C(C=O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 402755-80-0
CAS Name: disodium [(2S)-3-(12-amino-1-oxododecoxy)-2-(1-oxohexadecoxy)propyl] phosphate
OPENEYE Name: disodium [(2S)-3-(12-aminododecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate
IUPAC Name: disodium [(2S)-3-(12-aminododecanoyloxy)-2-hexadecanoyloxypropyl] phosphate
SYSTEMATIC NAME: disodium [(2S)-3-(12-azanyldodecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate
MOLECULAR FORMULA: C31H60NNa2O8P
MOLECULAR WEIGHT: 651.763301
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCN)COP(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 528-04-1
CAS Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C17H27N3O17P2
MOLECULAR WEIGHT: 607.353702
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
Structure:
CAS RN: 257612-36-5
CAS Name: 4-bromo-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
OPENEYE Name: 4-bromo-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
IUPAC Name: 4-bromo-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[2,2,2-tris(chloranyl)-1-[(4-sulfamoylphenyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C15H13BrCl3N3O3S
MOLECULAR WEIGHT: 501.61002
SMILES: C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)S(=O)(=O)N)Br
Structure:
CAS RN: 71065-87-7
CAS Name: disodium [(2R)-2,3-bis(1-oxohexadecoxy)propyl] phosphate
OPENEYE Name: disodium [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
IUPAC Name: disodium [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
SYSTEMATIC NAME: disodium [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
MOLECULAR FORMULA: C35H67Na2O8P
MOLECULAR WEIGHT: 692.854981
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]
Structure:
CAS RN: 146-17-8
CAS Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
OPENEYE Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S)-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
Structure:
CAS RN: 146-14-5
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-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] [(2R,3S,4S)-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
Structure:
CAS RN: 16426-55-4
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-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] [(2R,3S,4S)-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
Structure:
CAS RN: 887565-61-9
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-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] [(2R,3S,4S)-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
Structure:
CAS RN: 64005-90-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H18N2O8
MOLECULAR WEIGHT: 438.38692
SMILES: CCOC(=O)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(=O)OCC)C1=O
Structure:
CAS RN: 58-96-8
CAS Name: 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 78944-68-0
CAS Name: ethanone
OPENEYE Name: ethanone
IUPAC Name: ethanone
SYSTEMATIC NAME: ethanone
MOLECULAR FORMULA: C2H3O-
MOLECULAR WEIGHT: 43.04462
SMILES: C[C-]=O
Structure:
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