CAS RN: 154193-16-5
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 392273-85-7
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 52550-45-5
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 73730-12-8
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 81209-76-9
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 93195-97-2
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 951320-99-3
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-[2-(2-hydroxyethyloxy)ethyl]-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C15H16F17NO4S
MOLECULAR WEIGHT: 629.329694
SMILES: CCCN(CCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 52530-60-6
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C35H45N7O7
MOLECULAR WEIGHT: 675.7745
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 52502-12-2
CAS Name: nickel; oxygen(2-); vanadium
OPENEYE Name: nickel; oxygen(2-); vanadium
IUPAC Name: nickel; oxygen(2-); vanadium
SYSTEMATIC NAME: nickel; oxygen(2-); vanadium
MOLECULAR FORMULA: NiOV-2
MOLECULAR WEIGHT: 125.6343
SMILES: [O-2].[V].[Ni]
Structure:
CAS RN: 52498-63-2
CAS Name: 3-(4-aminophenyl)-3-ethyl-4-methylpiperidine-2,6-dione
OPENEYE Name: 3-(4-aminophenyl)-3-ethyl-4-methyl-piperidine-2,6-dione
IUPAC Name: 3-(4-aminophenyl)-3-ethyl-4-methylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-(4-aminophenyl)-3-ethyl-4-methyl-piperidine-2,6-dione
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CCC1(C(CC(=O)NC1=O)C)C2=CC=C(C=C2)N
Structure:
CAS RN: 52497-46-8
CAS Name: sulfuric acid [6-[[3,4-dimethyl-2-(sulfooxyamino)phenyl]-iminomethyl]-2,3-dimethylanilino] ester
OPENEYE Name: [6-[3,4-dimethyl-2-(sulfooxyamino)benzenecarboximidoyl]-2,3-dimethyl-anilino] hydrogen sulfate
IUPAC Name: [6-[3,4-dimethyl-2-(sulfooxyamino)benzenecarboximidoyl]-2,3-dimethylanilino] hydrogen sulfate
SYSTEMATIC NAME: [[6-[C-[3,4-dimethyl-2-(sulfooxyamino)phenyl]carbonimidoyl]-2,3-dimethyl-phenyl]amino] hydrogen sulfate
MOLECULAR FORMULA: C17H21N3O8S2
MOLECULAR WEIGHT: 459.49394
SMILES: CC1=C(C(=C(C=C1)C(=N)C2=C(C(=C(C=C2)C)C)NOS(=O)(=O)O)NOS(=O)(=O)O)C
Structure:
CAS RN: 52469-00-8
CAS Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
OPENEYE Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
SYSTEMATIC NAME: 4-tert-butylphenol; methanal; 4-phenylphenol
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC=C(C=C1)C2=CC=C(C=C2)O
Structure:
CAS RN: 80112-43-2
CAS Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
OPENEYE Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-phenylphenol
SYSTEMATIC NAME: 4-tert-butylphenol; methanal; 4-phenylphenol
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC=C(C=C1)C2=CC=C(C=C2)O
Structure:
CAS RN: 52453-94-8
CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C20H26O10
MOLECULAR WEIGHT: 426.41444
SMILES: CC(CO)O.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O
Structure:
CAS RN: 52450-38-1
CAS Name: N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide
OPENEYE Name: N-[3-(2-formamido-5-methoxy-phenyl)-3-oxo-propyl]acetamide
IUPAC Name: N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide
SYSTEMATIC NAME: N-[3-(2-formamido-5-methoxy-phenyl)-3-oxidanylidene-propyl]ethanamide
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
Structure:
CAS RN: 52438-26-3
CAS Name: platinum(4+) tetrahydroxide dihydrate
OPENEYE Name: platinum(4+) tetrahydroxide dihydrate
IUPAC Name: platinum(4+) tetrahydroxide dihydrate
SYSTEMATIC NAME: platinum(4+) tetrahydroxide dihydrate
MOLECULAR FORMULA: H8O6Pt
MOLECULAR WEIGHT: 299.13792
SMILES: O.O.[OH-].[OH-].[OH-].[OH-].[Pt+4]
Structure:
CAS RN: 52408-85-2
CAS Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]-1-propanol; furan-2,5-dione
OPENEYE Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; furan-2,5-dione
IUPAC Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; furan-2,5-dione
SYSTEMATIC NAME: 3-[2,3-bis(3-oxidanylpropoxy)propoxy]propan-1-ol; furan-2,5-dione
MOLECULAR FORMULA: C16H28O9
MOLECULAR WEIGHT: 364.38812
SMILES: C1=CC(=O)OC1=O.C(CO)COCC(COCCCO)OCCCO
Structure:
CAS RN: 52408-60-3
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
OPENEYE Name: butane-1,4-diol; 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methyl-ethyl]phenoxy]ethanol; dimethyl benzene-1,4-dicarboxylate
IUPAC Name: butane-1,4-diol; 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol; dimethyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: 2-[4-[2-[3,5-bis(bromanyl)-4-(2-hydroxyethyloxy)phenyl]propan-2-yl]-2,6-bis(bromanyl)phenoxy]ethanol; butane-1,4-diol; dimethyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C33H40Br4O10
MOLECULAR WEIGHT: 916.2807
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCO)CO
Structure:
CAS RN: 84871-80-7
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
OPENEYE Name: butane-1,4-diol; 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methyl-ethyl]phenoxy]ethanol; dimethyl benzene-1,4-dicarboxylate
IUPAC Name: butane-1,4-diol; 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol; dimethyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: 2-[4-[2-[3,5-bis(bromanyl)-4-(2-hydroxyethyloxy)phenyl]propan-2-yl]-2,6-bis(bromanyl)phenoxy]ethanol; butane-1,4-diol; dimethyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C33H40Br4O10
MOLECULAR WEIGHT: 916.2807
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCO)CO
Structure:
CAS RN: 52372-83-5
CAS Name: 2-(diphenylmethyl)oxyethyl-[2-[10-[2-[2-(diphenylmethyl)oxyethyl-dimethylammonio]ethoxy]-1,10-dioxodecoxy]ethyl]-dimethylammonium dibromide
OPENEYE Name: 2-benzhydryloxyethyl-[2-[10-[2-[2-benzhydryloxyethyl(dimethyl)ammonio]ethoxy]-10-oxo-decanoyl]oxyethyl]-dimethyl-ammonium dibromide
IUPAC Name: 2-benzhydryloxyethyl-[2-[10-[2-[2-benzhydryloxyethyl(dimethyl)azaniumyl]ethoxy]-10-oxodecanoyl]oxyethyl]-dimethylazanium dibromide
SYSTEMATIC NAME: 2-(diphenylmethyl)oxyethyl-[2-[10-[2-[2-(diphenylmethyl)oxyethyl-dimethyl-azaniumyl]ethoxy]-10-oxidanylidene-decanoyl]oxyethyl]-dimethyl-azanium dibromide
MOLECULAR FORMULA: C48H66Br2N2O6
MOLECULAR WEIGHT: 926.85544
SMILES: C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)CCOC(=O)CCCCCCCCC(=O)OCC[N+](C)(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-]
Structure:
CAS RN: 52286-19-8
CAS Name: ammonium 2-decoxyethyl sulfate
OPENEYE Name: ammonium 2-decoxyethyl sulfate
IUPAC Name: azanium 2-decoxyethyl sulfate
SYSTEMATIC NAME: azanium 2-decoxyethyl sulfate
MOLECULAR FORMULA: C12H29NO5S
MOLECULAR WEIGHT: 299.42736
SMILES: CCCCCCCCCCOCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 52286-18-7
CAS Name: ammonium 2-octoxyethyl sulfate
OPENEYE Name: ammonium 2-octoxyethyl sulfate
IUPAC Name: azanium 2-octoxyethyl sulfate
SYSTEMATIC NAME: azanium 2-octoxyethyl sulfate
MOLECULAR FORMULA: C10H25NO5S
MOLECULAR WEIGHT: 271.3742
SMILES: CCCCCCCCOCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 52285-95-7
CAS Name: methyl sulfate; 2-propenamide; trimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium
OPENEYE Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)ammonium
IUPAC Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
SYSTEMATIC NAME: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
MOLECULAR FORMULA: C12H24N2O7S
MOLECULAR WEIGHT: 340.39316
SMILES: C[N+](C)(C)CCOC(=O)C=C.COS(=O)(=O)[O-].C=CC(=O)N
Structure:
CAS RN: 56624-79-4
CAS Name: methyl sulfate; 2-propenamide; trimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium
OPENEYE Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)ammonium
IUPAC Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
SYSTEMATIC NAME: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
MOLECULAR FORMULA: C12H24N2O7S
MOLECULAR WEIGHT: 340.39316
SMILES: C[N+](C)(C)CCOC(=O)C=C.COS(=O)(=O)[O-].C=CC(=O)N
Structure:
CAS RN: 58639-89-7
CAS Name: methyl sulfate; 2-propenamide; trimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium
OPENEYE Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)ammonium
IUPAC Name: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
SYSTEMATIC NAME: methyl sulfate; prop-2-enamide; trimethyl(2-prop-2-enoyloxyethyl)azanium
MOLECULAR FORMULA: C12H24N2O7S
MOLECULAR WEIGHT: 340.39316
SMILES: C[N+](C)(C)CCOC(=O)C=C.COS(=O)(=O)[O-].C=CC(=O)N
Structure:
CAS RN: 52278-63-4
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] butyl hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] butyl hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] butyl hydrogen phosphate
MOLECULAR FORMULA: C14H22N5O7P
MOLECULAR WEIGHT: 403.327541
SMILES: CCCCOP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)CO
Structure:
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