CAS RN: 5817-39-0
CAS Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3-iodo-phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3-iodanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C15H12I3NO4
MOLECULAR WEIGHT: 650.97349
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
Structure:
CAS RN: 18201-65-5
CAS Name: 2-(3,5-dichloroanilino)benzoic acid
OPENEYE Name: 2-(3,5-dichloroanilino)benzoic acid
IUPAC Name: 2-(3,5-dichloroanilino)benzoic acid
SYSTEMATIC NAME: 2-[[3,5-bis(chloranyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C13H9Cl2NO2
MOLECULAR WEIGHT: 282.12206
SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 94724-12-6
CAS Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
OPENEYE Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
IUPAC Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
SYSTEMATIC NAME: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
MOLECULAR FORMULA: C31H23Cl7N2O
MOLECULAR WEIGHT: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazol-3-ium chloride
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-]
Structure:
CAS RN: 36292-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC[C@]12CCN([C@H](C1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4
Structure:
CAS RN: 53-21-4
CAS Name: (1R,3R,4S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl (1R,3R,4S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
IUPAC Name: methyl (1R,3R,4S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
SYSTEMATIC NAME: methyl (1R,3R,4S,5S)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
MOLECULAR FORMULA: C17H22ClNO4
MOLECULAR WEIGHT: 339.81388
SMILES: CN1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl
Structure:
CAS RN: 99380-29-7
CAS Name: dioxidophosphoryl phosphate
OPENEYE Name: dioxidophosphoryl phosphate
IUPAC Name: dioxidophosphoryl phosphate
SYSTEMATIC NAME: bis(oxidanidyl)phosphoryl phosphate
MOLECULAR FORMULA: O7P2-4
MOLECULAR WEIGHT: 174.943468
SMILES: [O-]P(=O)([O-])O[32P](=O)([O-])[O-]
Structure:
CAS RN: 3768-35-2
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5O7P
MOLECULAR WEIGHT: 348.221367
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[32P](=O)(O)O)O)O
Structure:
CAS RN: 2906-42-5
CAS Name: 3-pyridinecarboxylic acid
OPENEYE Name: pyridine-3-carboxylic acid
IUPAC Name: pyridine-3-carboxylic acid
SYSTEMATIC NAME: pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H5NO2
MOLECULAR WEIGHT: 125.101942
SMILES: C1=CC(=CN=C1)[14C](=O)O
Structure:
CAS RN: 91828-87-4
CAS Name: 2-(methylamino)benzoic acid [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate
IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
MOLECULAR FORMULA: C18H22N6O12P2
MOLECULAR WEIGHT: 576.347802
SMILES: CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 315674-01-2
CAS Name: [(2S,3R)-2-amino-3-hydroxy-4,5-ditritiooctadecyl] dihydrogen phosphate
OPENEYE Name: [(2S,3R)-2-amino-3-hydroxy-4,5-ditritio-octadecyl] dihydrogen phosphate
IUPAC Name: [(2S,3R)-2-amino-3-hydroxy-4,5-ditritiooctadecyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R)-2-azanyl-3-oxidanyl-4,5-ditritio-octadecyl] dihydrogen phosphate
MOLECULAR FORMULA: C18H40NO5P
MOLECULAR WEIGHT: 385.50388
SMILES: [3H]C(CCCCCCCCCCCCC)C([3H])[C@H]([C@H](COP(=O)(O)O)N)O
Structure:
CAS RN: 19794-97-9
CAS Name: [(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate
OPENEYE Name: [(2S,3R)-2-amino-3-hydroxy-octadecyl] dihydrogen phosphate
IUPAC Name: [(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R)-2-azanyl-3-oxidanyl-octadecyl] dihydrogen phosphate
MOLECULAR FORMULA: C18H40NO5P
MOLECULAR WEIGHT: 381.487661
SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
Structure:
CAS RN: 71973-97-2
CAS Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-8-tritio-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-8-tritio-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-8-tritio-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-8-tritio-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O11P2
MOLECULAR WEIGHT: 445.208631
SMILES: [3H]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
Structure:
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