CAS RN: 123334-20-3
CAS Name: vanadium hydroxide sulfate hydrate
OPENEYE Name: vanadium hydroxide sulfate hydrate
IUPAC Name: vanadium hydroxide sulfate hydrate
SYSTEMATIC NAME: vanadium hydroxide sulfate hydrate
MOLECULAR FORMULA: H3O6SV-3
MOLECULAR WEIGHT: 182.02672
SMILES: O.[OH-].[O-]S(=O)(=O)[O-].[V]
Structure:
CAS RN: 474943-14-1
CAS Name: diammonium [[(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propoxy]-oxidophosphoryl] hydrogen phosphate
OPENEYE Name: diammonium [[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxido-phosphoryl] hydrogen phosphate
IUPAC Name: diazanium [[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: diazanium [[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C39H80N2O11P2
MOLECULAR WEIGHT: 815.006822
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+].[NH4+]
Structure:
CAS RN: 178603-80-0
CAS Name: sodium [(2R)-2,3-bis(1-oxooctoxy)propyl] hydrogen phosphate
OPENEYE Name: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
IUPAC Name: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
SYSTEMATIC NAME: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
MOLECULAR FORMULA: C19H36NaO8P
MOLECULAR WEIGHT: 446.447871
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC.[Na+]
Structure:
CAS RN: 321883-54-9
CAS Name: sodium [(2R)-2,3-bis(1-oxooctoxy)propyl] hydrogen phosphate
OPENEYE Name: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
IUPAC Name: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
SYSTEMATIC NAME: sodium [(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
MOLECULAR FORMULA: C19H36NaO8P
MOLECULAR WEIGHT: 446.447871
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC.[Na+]
Structure:
CAS RN: 474943-13-0
CAS Name: diammonium [[(2R)-2,3-bis(1-oxooctoxy)propoxy]-oxidophosphoryl] hydrogen phosphate
OPENEYE Name: diammonium [[(2R)-2,3-di(octanoyloxy)propoxy]-oxido-phosphoryl] hydrogen phosphate
IUPAC Name: diazanium [[(2R)-2,3-di(octanoyloxy)propoxy]-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: diazanium [[(2R)-2,3-di(octanoyloxy)propoxy]-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C19H44N2O11P2
MOLECULAR WEIGHT: 538.506982
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)(O)[O-])OC(=O)CCCCCCC.[NH4+].[NH4+]
Structure:
CAS RN: 944537-89-7
CAS Name: N-(2-aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide dihydrobromide
OPENEYE Name: N-(2-aminophenyl)-4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzamide dihydrobromide
IUPAC Name: N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide dihydrobromide
SYSTEMATIC NAME: N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide dihydrobromide
MOLECULAR FORMULA: C23H22Br2N6O
MOLECULAR WEIGHT: 558.26838
SMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4.Br.Br
Structure:
CAS RN: 137525-67-8
CAS Name: 2-[2-[(1-carboxy-2-mercapto-2-methylpropyl)amino]ethylamino]-3-mercapto-3-methylbutanoic acid
OPENEYE Name: 2-[2-[(1-carboxy-2-methyl-2-sulfanyl-propyl)amino]ethylamino]-3-methyl-3-sulfanyl-butanoic acid
IUPAC Name: 2-[2-[(1-carboxy-2-methyl-2-sulfanylpropyl)amino]ethylamino]-3-methyl-3-sulfanylbutanoic acid
SYSTEMATIC NAME: 3-methyl-2-[2-[(3-methyl-1-oxidanyl-1-oxidanylidene-3-sulfanyl-butan-2-yl)amino]ethylamino]-3-sulfanyl-butanoic acid
MOLECULAR FORMULA: C12H24N2O4S2
MOLECULAR WEIGHT: 324.45996
SMILES: CC(C)(C(C(=O)O)NCCNC(C(=O)O)C(C)(C)S)S
Structure:
CAS RN: 1018785-15-3
CAS Name: (2-chloro-5-nitro-6-quinolinyl)methanol
OPENEYE Name: (2-chloro-5-nitro-6-quinolyl)methanol
IUPAC Name: (2-chloro-5-nitroquinolin-6-yl)methanol
SYSTEMATIC NAME: (2-chloranyl-5-nitro-quinolin-6-yl)methanol
MOLECULAR FORMULA: C10H7ClN2O3
MOLECULAR WEIGHT: 238.62718
SMILES: C1=CC2=C(C=CC(=N2)Cl)C(=C1CO)[N+](=O)[O-]
Structure:
CAS RN: 22667-21-6
CAS Name: 5-formyl-3-isoxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 5-formylisoxazole-3-carboxylate
IUPAC Name: methyl 5-formyl-1,2-oxazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-methanoyl-1,2-oxazole-3-carboxylate
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: COC(=O)C1=NOC(=C1)C=O
Structure:
CAS RN: 40253-44-9
CAS Name: 5-methyl-1H-imidazole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methyl-1H-imidazole-2-carboxylate
IUPAC Name: ethyl 5-methyl-1H-imidazole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-1H-imidazole-2-carboxylate
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CCOC(=O)C1=NC=C(N1)C
Structure:
CAS RN: 334476-64-1
CAS Name: (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide; methanesulfonic acid
OPENEYE Name: (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide; methanesulfonic acid
IUPAC Name: (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide; methanesulfonic acid
SYSTEMATIC NAME: (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide; methanesulfonic acid
MOLECULAR FORMULA: C24H28F7N3O4S
MOLECULAR WEIGHT: 587.550642
SMILES: CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.CS(=O)(=O)O
Structure:
CAS RN: 943034-50-2
CAS Name: 5-(2-chloroethyl)-2,3-dihydrobenzofuran
OPENEYE Name: 5-(2-chloroethyl)-2,3-dihydrobenzofuran
IUPAC Name: 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran
SYSTEMATIC NAME: 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran
MOLECULAR FORMULA: C10H11ClO
MOLECULAR WEIGHT: 182.64674
SMILES: C1COC2=C1C=C(C=C2)CCCl
Structure:
CAS RN: 872292-64-3
CAS Name: 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
OPENEYE Name: 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
IUPAC Name: 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
SYSTEMATIC NAME: 3-chloranyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
MOLECULAR FORMULA: C7H7ClN2
MOLECULAR WEIGHT: 154.59688
SMILES: C1CC2=CC(=NN=C2C1)Cl
Structure:
CAS RN: 92796-70-8
CAS Name: 4-chloro-2,6-diphenyl-3-pyridazinone
OPENEYE Name: 4-chloro-2,6-diphenyl-pyridazin-3-one
IUPAC Name: 4-chloro-2,6-diphenylpyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-2,6-diphenyl-pyridazin-3-one
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 30800-69-2
CAS Name: 4-chloro-1-methoxybenzo[g]phthalazine
OPENEYE Name: 4-chloro-1-methoxy-benzo[g]phthalazine
IUPAC Name: 4-chloro-1-methoxybenzo[g]phthalazine
SYSTEMATIC NAME: 4-chloranyl-1-methoxy-benzo[g]phthalazine
MOLECULAR FORMULA: C13H9ClN2O
MOLECULAR WEIGHT: 244.67636
SMILES: COC1=NN=C(C2=CC3=CC=CC=C3C=C21)Cl
Structure:
CAS RN: 1093070-16-6
CAS Name: 5-amino-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
OPENEYE Name: 5-amino-2-methyl-N-[(1R)-1-(1-naphthyl)ethyl]benzamide
IUPAC Name: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SYSTEMATIC NAME: 5-azanyl-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
MOLECULAR FORMULA: C20H20N2O
MOLECULAR WEIGHT: 304.3856
SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 864495-58-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H29NO7
MOLECULAR WEIGHT: 479.52166
SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4
Structure:
CAS RN: 68910-31-6
CAS Name: ammonium 4-tridecan-3-ylbenzenesulfonate
OPENEYE Name: ammonium 4-(1-ethylundecyl)benzenesulfonate
IUPAC Name: azanium 4-tridecan-3-ylbenzenesulfonate
SYSTEMATIC NAME: azanium 4-tridecan-3-ylbenzenesulfonate
MOLECULAR FORMULA: C19H35NO3S
MOLECULAR WEIGHT: 357.5511
SMILES: CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 68608-89-9
CAS Name: sodium 4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate
OPENEYE Name: sodium 4-(1-ethyl-2,4,6-trimethyl-heptyl)benzenesulfonate
IUPAC Name: sodium 4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate
SYSTEMATIC NAME: sodium 4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate
MOLECULAR FORMULA: C18H29NaO3S
MOLECULAR WEIGHT: 348.47583
SMILES: CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.[Na+]
Structure:
CAS RN: 27177-77-1
CAS Name: potassium 4-dodecan-3-ylbenzenesulfonate
OPENEYE Name: potassium 4-(1-ethyldecyl)benzenesulfonate
IUPAC Name: potassium 4-dodecan-3-ylbenzenesulfonate
SYSTEMATIC NAME: potassium 4-dodecan-3-ylbenzenesulfonate
MOLECULAR FORMULA: C18H29KO3S
MOLECULAR WEIGHT: 364.58436
SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[K+]
Structure:
CAS RN: 70024-69-0
CAS Name: calcium 4-eicosan-3-ylbenzenesulfonate
OPENEYE Name: calcium 4-(1-ethyloctadecyl)benzenesulfonate
IUPAC Name: calcium 4-icosan-3-ylbenzenesulfonate
SYSTEMATIC NAME: calcium 4-icosan-3-ylbenzenesulfonate
MOLECULAR FORMULA: C52H90CaO6S2
MOLECULAR WEIGHT: 915.4754
SMILES: CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]
Structure:
CAS RN: 70024-67-8
CAS Name: 4-eicosan-3-ylbenzenesulfonic acid
OPENEYE Name: 4-(1-ethyloctadecyl)benzenesulfonic acid
IUPAC Name: 4-icosan-3-ylbenzenesulfonic acid
SYSTEMATIC NAME: 4-icosan-3-ylbenzenesulfonic acid
MOLECULAR FORMULA: C26H46O3S
MOLECULAR WEIGHT: 438.70664
SMILES: CCCCCCCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 72448-60-3
CAS Name: [(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl] dihydrogen phosphate
IUPAC Name: [(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C5H11O7P
MOLECULAR WEIGHT: 214.110401
SMILES: C[C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O
Structure:
CAS RN: 59-05-2
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C20H20N8O5-2
MOLECULAR WEIGHT: 452.4234
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-]
Structure:
CAS RN: 945405-37-8
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-3-[[(2S)-2-pyrrolidinyl]methoxy]pyridine
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
MOLECULAR FORMULA: C15H22N2O7
MOLECULAR WEIGHT: 342.34438
SMILES: CC1=C(C=CC=N1)OC[C@@H]2CCCN2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 960404-48-2
CAS Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S)-propane-1,2-diol; hydrate
OPENEYE Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S)-propane-1,2-diol; hydrate
IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S)-propane-1,2-diol; hydrate
SYSTEMATIC NAME: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S)-propane-1,2-diol; hydrate
MOLECULAR FORMULA: C24H35ClO9
MOLECULAR WEIGHT: 502.9823
SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl.C[C@@H](CO)O.O
Structure:
CAS RN: 281235-04-9
CAS Name: 4-(4-piperidinyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(4-piperidyl)benzoate
IUPAC Name: methyl 4-piperidin-4-ylbenzoate
SYSTEMATIC NAME: methyl 4-piperidin-4-ylbenzoate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: COC(=O)C1=CC=C(C=C1)C2CCNCC2
Structure:
CAS RN: 676495-94-6
CAS Name: 3-(4-fluorophenyl)piperidine
OPENEYE Name: 3-(4-fluorophenyl)piperidine
IUPAC Name: 3-(4-fluorophenyl)piperidine
SYSTEMATIC NAME: 3-(4-fluorophenyl)piperidine
MOLECULAR FORMULA: C11H14FN
MOLECULAR WEIGHT: 179.233963
SMILES: C1CC(CNC1)C2=CC=C(C=C2)F
Structure:
CAS RN: 34775-04-7
CAS Name: 4-chloro-2-(3-pyridinyl)-5-pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-2-(3-pyridyl)pyrimidine-5-carboxylate
IUPAC Name: ethyl 4-chloro-2-pyridin-3-ylpyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-2-pyridin-3-yl-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C12H10ClN3O2
MOLECULAR WEIGHT: 263.6797
SMILES: CCOC(=O)C1=CN=C(N=C1Cl)C2=CN=CC=C2
Structure:
CAS RN: 175595-87-6
CAS Name: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
OPENEYE Name: 2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
IUPAC Name: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C7H9N3OS
MOLECULAR WEIGHT: 183.23086
SMILES: C1CNCC2=C1NC(=S)NC2=O
Structure:
CAS RN: 1044768-44-6
CAS Name: 4-chloro-6-fluoro-2-methylquinazoline
OPENEYE Name: 4-chloro-6-fluoro-2-methyl-quinazoline
IUPAC Name: 4-chloro-6-fluoro-2-methylquinazoline
SYSTEMATIC NAME: 4-chloranyl-6-fluoranyl-2-methyl-quinazoline
MOLECULAR FORMULA: C9H6ClFN2
MOLECULAR WEIGHT: 196.608743
SMILES: CC1=NC2=C(C=C(C=C2)F)C(=N1)Cl
Structure:
No comments:
Post a Comment