CAS RN: 51391-97-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13ClFN3O5
MOLECULAR WEIGHT: 321.689423
SMILES: CC(=O)OC1C(OC2C1OC3=NC(=N)C(=CN23)F)CO.Cl
Structure:
CAS RN: 63714-63-6
CAS Name: 4-methyl-2-[[2-(methylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]pentanoic acid methyl ester hydrobromide
OPENEYE Name: methyl 2-[[3-(4-benzyloxyphenyl)-2-(methylamino)propanoyl]amino]-4-methyl-pentanoate hydrobromide
IUPAC Name: methyl 4-methyl-2-[[2-(methylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]pentanoate hydrobromide
SYSTEMATIC NAME: methyl 4-methyl-2-[[2-(methylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]pentanoate hydrobromide
MOLECULAR FORMULA: C24H33BrN2O4
MOLECULAR WEIGHT: 493.43382
SMILES: CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC.Br
Structure:
CAS RN: 57816-35-0
CAS Name: chloro(trimethyl)antimony; 8-quinolinol
OPENEYE Name: chloro(trimethyl)antimony; quinolin-8-ol
IUPAC Name: chloro(trimethyl)antimony; quinolin-8-ol
SYSTEMATIC NAME: chloranyl(trimethyl)antimony; quinolin-8-ol
MOLECULAR FORMULA: C12H16ClNOSb
MOLECULAR WEIGHT: 347.47454
SMILES: C[Sb](C)(C)Cl.C1=CC2=C(C(=C1)O)N=CC=C2
Structure:
CAS RN: 17846-68-3
CAS Name: azido(tributyl)stannane
OPENEYE Name: azido(tributyl)stannane
IUPAC Name: azido(tributyl)stannane
SYSTEMATIC NAME: azido(tributyl)stannane
MOLECULAR FORMULA: C12H27N3Sn
MOLECULAR WEIGHT: 332.07288
SMILES: CCCC[Sn](CCCC)(CCCC)N=[N+]=[N-]
Structure:
CAS RN: 16527-35-8
CAS Name: hydroxy(triphenyl)silane; sodium
OPENEYE Name: hydroxy(triphenyl)silane; sodium
IUPAC Name: hydroxy(triphenyl)silane; sodium
SYSTEMATIC NAME: oxidanyl(triphenyl)silane; sodium
MOLECULAR FORMULA: C18H16NaOSi
MOLECULAR WEIGHT: 299.39431
SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O.[Na]
Structure:
CAS RN: 15653-12-0
CAS Name: carbon monoxide; 2,9-dihydro-1,10-phenanthroline-1,10-diide; molybdenum(2+); tricyclohexylphosphine
OPENEYE Name: carbon monoxide; 2,9-dihydro-1,10-phenanthroline-1,10-diide; molybdenum(2+); tricyclohexylphosphane
IUPAC Name: carbon monoxide; 2,9-dihydro-1,10-phenanthroline-1,10-diide; molybdenum(2+); tricyclohexylphosphane
SYSTEMATIC NAME: carbon monoxide; 2,9-dihydro-1,10-phenanthroline-1,10-diide; molybdenum(2+); tricyclohexylphosphane
MOLECULAR FORMULA: C50H76MoN2O2P2
MOLECULAR WEIGHT: 895.038162
SMILES: [C-]#[O+].[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1C=CC2=C([N-]1)C3=C(C=CC[N-]3)C=C2.[Mo+2]
Structure:
CAS RN: 15740-78-0
CAS Name: carbon monoxide; molybdenum; 1,10-phenanthroline
OPENEYE Name: carbon monoxide; molybdenum; 1,10-phenanthroline
IUPAC Name: carbon monoxide; molybdenum; 1,10-phenanthroline
SYSTEMATIC NAME: carbon monoxide; molybdenum; 1,10-phenanthroline
MOLECULAR FORMULA: C16H8MoN2O4
MOLECULAR WEIGHT: 388.18572
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Mo]
Structure:
CAS RN: 13682-04-7
CAS Name: carbon monoxide; cobalt; ethane
OPENEYE Name: carbon monoxide; cobalt; ethane
IUPAC Name: carbon monoxide; cobalt; ethane
SYSTEMATIC NAME: carbon monoxide; cobalt; ethane
MOLECULAR FORMULA: C11H5Co3O9-
MOLECULAR WEIGHT: 457.9516
SMILES: C[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co]
Structure:
CAS RN: 25287-67-6
CAS Name: 4-(dimethylamino)-3-phenyl-2-butanone hydrochloride
OPENEYE Name: 4-(dimethylamino)-3-phenyl-butan-2-one hydrochloride
IUPAC Name: 4-(dimethylamino)-3-phenylbutan-2-one hydrochloride
SYSTEMATIC NAME: 4-(dimethylamino)-3-phenyl-butan-2-one hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CC(=O)C(CN(C)C)C1=CC=CC=C1.Cl
Structure:
CAS RN: 14027-62-4
CAS Name: 1,3-dimethyl-4-pyrimidin-1-iumone iodide
OPENEYE Name: 1,3-dimethylpyrimidin-1-ium-4-one iodide
IUPAC Name: 1,3-dimethylpyrimidin-1-ium-4-one iodide
SYSTEMATIC NAME: 1,3-dimethylpyrimidin-1-ium-4-one iodide
MOLECULAR FORMULA: C6H9IN2O
MOLECULAR WEIGHT: 252.05293
SMILES: CN1C=[N+](C=CC1=O)C.[I-]
Structure:
CAS RN: 32675-67-5
CAS Name: 2-[[[4-[(2-amino-4-oxo-5-propyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; calcium
OPENEYE Name: 2-[[4-[(2-amino-4-oxo-5-propyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; calcium
IUPAC Name: 2-[[4-[(2-amino-4-oxo-5-propyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; calcium
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-oxidanylidene-5-propyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid; calcium
MOLECULAR FORMULA: C22H29CaN7O6
MOLECULAR WEIGHT: 527.58696
SMILES: CCCN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca]
Structure:
CAS RN: 4514-45-8
CAS Name: 6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C11H15ClN6O2
MOLECULAR WEIGHT: 298.7288
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)[N+](=O)[O-])N)N)C.Cl
Structure:
CAS RN: 10550-37-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H17ClN4O
MOLECULAR WEIGHT: 232.71048
SMILES: C1C(O1)C[N+]23CN4CN(C2)CN(C4)C3.[Cl-]
Structure:
CAS RN: 94584-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H17ClN4O
MOLECULAR WEIGHT: 232.71048
SMILES: CC(=O)C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]
Structure:
CAS RN: 51144-63-9
CAS Name: 3-pyridin-4-ylpropanoic acid hydrochloride
OPENEYE Name: 3-(4-pyridyl)propanoic acid hydrochloride
IUPAC Name: 3-pyridin-4-ylpropanoic acid hydrochloride
SYSTEMATIC NAME: 3-pyridin-4-ylpropanoic acid hydrochloride
MOLECULAR FORMULA: C8H10ClNO2
MOLECULAR WEIGHT: 187.6235
SMILES: C1=CN=CC=C1CCC(=O)O.Cl
Structure:
CAS RN: 92336-30-6
CAS Name: 4-methoxycarbonyl-3-nitrobenzenesulfonic acid; potassium
OPENEYE Name: 4-methoxycarbonyl-3-nitro-benzenesulfonic acid; potassium
IUPAC Name: 4-methoxycarbonyl-3-nitrobenzenesulfonic acid; potassium
SYSTEMATIC NAME: 4-methoxycarbonyl-3-nitro-benzenesulfonic acid; potassium
MOLECULAR FORMULA: C8H7KNO7S
MOLECULAR WEIGHT: 300.30698
SMILES: COC(=O)C1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-].[K]
Structure:
CAS RN: 56498-09-0
CAS Name: carbanide; carbon monoxide; manganese; triphenylphosphine
OPENEYE Name: carbanide; carbon monoxide; manganese; triphenylphosphane
IUPAC Name: carbanide; carbon monoxide; manganese; triphenylphosphane
SYSTEMATIC NAME: carbanide; carbon monoxide; manganese; triphenylphosphane
MOLECULAR FORMULA: C23H18MnO4P-
MOLECULAR WEIGHT: 444.29843
SMILES: [CH3-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Mn]
Structure:
CAS RN: 43184-32-3
CAS Name: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate
OPENEYE Name: ferrous; carbon monoxide; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate
IUPAC Name: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate
SYSTEMATIC NAME: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate
MOLECULAR FORMULA: C19H22FeO4S
MOLECULAR WEIGHT: 402.28558
SMILES: C[C-]1C(=C(C(=C1C)C)C)C.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)CS(=O)[O-].[Fe+2]
Structure:
CAS RN: 67578-99-8
CAS Name: 3-butene-2-sulfinate; carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
OPENEYE Name: ferrous; but-3-ene-2-sulfinate; carbon monoxide; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
IUPAC Name: but-3-ene-2-sulfinate; carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SYSTEMATIC NAME: but-3-ene-2-sulfinate; carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C16H22FeO4S
MOLECULAR WEIGHT: 366.25348
SMILES: C[C-]1C(=C(C(=C1C)C)C)C.CC(C=C)S(=O)[O-].[C-]#[O+].[C-]#[O+].[Fe+2]
Structure:
CAS RN: 13601-14-4
CAS Name: carbon monoxide; manganese; trifluoromethane
OPENEYE Name: carbon monoxide; manganese; trifluoromethane
IUPAC Name: carbon monoxide; manganese; trifluoromethane
SYSTEMATIC NAME: carbon monoxide; manganese; tris(fluoranyl)methane
MOLECULAR FORMULA: C6F3MnO5-
MOLECULAR WEIGHT: 263.994459
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-](F)(F)F.[Mn]
Structure:
CAS RN: 22309-04-2
CAS Name: carbon monoxide; iron; iron(2+); sulfanide
OPENEYE Name: ferrous; carbon monoxide; iron; sulfanide
IUPAC Name: carbon monoxide; iron; iron(2+); sulfanide
SYSTEMATIC NAME: carbon monoxide; iron; iron(2+); sulfanide
MOLECULAR FORMULA: C9H2Fe3O9S2
MOLECULAR WEIGHT: 485.77178
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[SH-].[SH-].[Fe].[Fe].[Fe+2]
Structure:
CAS RN: 21057-29-4
CAS Name: (3,4-dichlorophenyl)-(4-methyl-1-piperazinyl)methanone hydrochloride
OPENEYE Name: (3,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride
IUPAC Name: (3,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride
SYSTEMATIC NAME: (3,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride
MOLECULAR FORMULA: C12H15Cl3N2O
MOLECULAR WEIGHT: 309.6193
SMILES: CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Cl.Cl
Structure:
CAS RN: 54272-15-0
CAS Name: [(1Z)-1-methoxyimino-2-(sulfothio)ethyl]benzene; sodium
OPENEYE Name: [(Z)-N-methoxy-C-(sulfosulfanylmethyl)carbonimidoyl]benzene; sodium
IUPAC Name: [(Z)-N-methoxy-C-(sulfosulfanylmethyl)carbonimidoyl]benzene; sodium
SYSTEMATIC NAME: [(Z)-N-methoxy-C-(sulfosulfanylmethyl)carbonimidoyl]benzene; sodium
MOLECULAR FORMULA: C9H11NNaO4S2
MOLECULAR WEIGHT: 284.30771
SMILES: CO/N=C(\CSS(=O)(=O)O)/C1=CC=CC=C1.[Na]
Structure:
CAS RN: 30304-08-6
CAS Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; iron
OPENEYE Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione; iron
IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; iron
SYSTEMATIC NAME: 6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione; iron
MOLECULAR FORMULA: C30H33F21FeO6
MOLECULAR WEIGHT: 944.390887
SMILES: CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Fe]
Structure:
CAS RN: 14877-41-9
CAS Name: cobalt; 2,2,6,6-tetramethylheptane-3,5-dione
OPENEYE Name: cobalt; 2,2,6,6-tetramethylheptane-3,5-dione
IUPAC Name: cobalt; 2,2,6,6-tetramethylheptane-3,5-dione
SYSTEMATIC NAME: cobalt; 2,2,6,6-tetramethylheptane-3,5-dione
MOLECULAR FORMULA: C33H60CoO6
MOLECULAR WEIGHT: 611.7591
SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Co]
Structure:
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