CAS RN: 94481-64-8
CAS Name: 2-(6-methylheptyl)phenolate; triphenyl(propyl)phosphonium
OPENEYE Name: 2-(6-methylheptyl)phenolate; triphenyl(propyl)phosphonium
IUPAC Name: 2-(6-methylheptyl)phenolate; triphenyl(propyl)phosphanium
SYSTEMATIC NAME: 2-(6-methylheptyl)phenolate; triphenyl(propyl)phosphanium
MOLECULAR FORMULA: C35H43OP
MOLECULAR WEIGHT: 510.689081
SMILES: CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)CCCCCC1=CC=CC=C1[O-]
CAS RN: 97139-28-1
CAS Name: 2-[[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-4-yl]-hydroxyamino]-oxomethyl]amino]acetate; cyclohexylammonium
OPENEYE Name: 2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]-hydroxy-carbamoyl]amino]acetate; cyclohexylammonium
IUPAC Name: 2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]-hydroxycarbamoyl]amino]acetate; cyclohexylazanium
SYSTEMATIC NAME: 2-[[[2-[bis(2-chloroethyl)amino]-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-4-yl]-oxidanyl-carbamoyl]amino]ethanoate; cyclohexylazanium
MOLECULAR FORMULA: C16H32Cl2N5O6P
MOLECULAR WEIGHT: 492.334941
SMILES: C1CCC(CC1)[NH3+].C1COP(=O)(NC1N(C(=O)NCC(=O)[O-])O)N(CCCl)CCCl
CAS RN: 75292-29-4
CAS Name: (E)-3-amino-2-chloro-2-butenamide
OPENEYE Name: (E)-3-amino-2-chloro-but-2-enamide
IUPAC Name: (E)-3-amino-2-chlorobut-2-enamide
SYSTEMATIC NAME: (E)-3-azanyl-2-chloranyl-but-2-enamide
MOLECULAR FORMULA: C4H7ClN2O
MOLECULAR WEIGHT: 134.56418
SMILES: C/C(=C(/C(=O)N)\Cl)/N
CAS RN: 11080-54-9
CAS Name: gallium europium(3+) sulfide
OPENEYE Name: gallium europium(3+) sulfide
IUPAC Name: gallium europium(3+) sulfide
SYSTEMATIC NAME: gallium europium(3+) sulfide
MOLECULAR FORMULA: EuGaS+4
MOLECULAR WEIGHT: 253.752
SMILES: [S-2].[Ga+3].[Eu+3]
CAS RN: 285571-64-4
CAS Name: (4S,7S,10S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: (4S,7S,10S,16R)-N-[(1S)-4-amino-1-(hydroxymethyl)butyl]-7-(2-amino-2-oxo-ethyl)-16-(1H-indol-3-ylmethyl)-N-methyl-13-[(1S)-1-methylpropyl]-10-[(1R)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: (4S,7S,10S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: (4S,7S,10S,16R)-7-(2-azanyl-2-oxidanylidene-ethyl)-N-[(2S)-5-azanyl-1-oxidanyl-pentan-2-yl]-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentakis(oxidanylidene)-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxam
MOLECULAR FORMULA: C40H63N9O8S
MOLECULAR WEIGHT: 830.04872
SMILES: CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@@H](C(=O)NC(C(=O)N1)[C@@H](C)CC)CC2=CNC3=CC=CC=C32)C(=O)N(C)[C@@H](CCCN)CO)CC(=O)N
CAS RN: 14507-36-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: NiO2P+
MOLECULAR WEIGHT: 121.665961
SMILES: [O-]P=O.[Ni+2]
CAS RN: 70850-93-0
CAS Name: 4-tert-butylbenzoic acid (3-hydroxy-2,2-dimethylpropyl) ester; 1,3-dioxo-5-isobenzofurancarboxylic acid; hexanedioic acid
OPENEYE Name: adipic acid; 1,3-dioxoisobenzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethyl-propyl) 4-tert-butylbenzoate
IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid; (3-hydroxy-2,2-dimethylpropyl) 4-tert-butylbenzoate
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 4-tert-butylbenzoate; hexanedioic acid
MOLECULAR FORMULA: C31H38O12
MOLECULAR WEIGHT: 602.62622
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(C)(C)CO.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
CAS RN: 144409-63-2
CAS Name:
OPENEYE Name:
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MOLECULAR FORMULA: C34H44O14
MOLECULAR WEIGHT: 676.70476
SMILES: CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C
CAS RN: 93805-07-3
CAS Name: N-[[5-(3,3-dimethylbutan-2-ylideneamino)-1,3,3-trimethylcyclohexyl]methyl]-3,3-dimethyl-2-butanimine
OPENEYE Name: 3,3-dimethyl-N-[[1,3,3-trimethyl-5-(1,2,2-trimethylpropylideneamino)cyclohexyl]methyl]butan-2-imine
IUPAC Name: N-[[5-(3,3-dimethylbutan-2-ylideneamino)-1,3,3-trimethylcyclohexyl]methyl]-3,3-dimethylbutan-2-imine
SYSTEMATIC NAME: N-[[5-(3,3-dimethylbutan-2-ylideneamino)-1,3,3-trimethyl-cyclohexyl]methyl]-3,3-dimethyl-butan-2-imine
MOLECULAR FORMULA: C22H42N2
MOLECULAR WEIGHT: 334.58228
SMILES: CC(=NCC1(CC(CC(C1)(C)C)N=C(C)C(C)(C)C)C)C(C)(C)C
CAS RN: 93840-53-0
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[4-[[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]cyclohexyl]methyl]cyclohexyl]hexanamide
OPENEYE Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[4-[[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]cyclohexyl]methyl]cyclohexyl]hexanamide
IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[4-[[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]cyclohexyl]methyl]cyclohexyl]hexanamide
SYSTEMATIC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)-N-[4-[[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]cyclohexyl]methyl]cyclohexyl]hexanamide
MOLECULAR FORMULA: C25H46N2O12
MOLECULAR WEIGHT: 566.63894
SMILES: C1CC(CCC1CC2CCC(CC2)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
CAS RN: 6527-75-9
CAS Name: 4-[(4,4-diethyl-1-pyrazine-1,4-diiumylidene)-[4-(dimethylamino)phenyl]methyl]-N,N,3-trimethylaniline dichloride
OPENEYE Name: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N,3-trimethyl-aniline dichloride
IUPAC Name: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N,3-trimethylaniline dichloride
SYSTEMATIC NAME: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N,3-trimethyl-aniline dichloride
MOLECULAR FORMULA: C26H36Cl2N4
MOLECULAR WEIGHT: 475.49684
SMILES: CC[N+]1(C=C[N+](=C(C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(C)C)C)C=C1)CC.[Cl-].[Cl-]
CAS RN: 71693-92-0
CAS Name: 2-furanylmethanol; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
OPENEYE Name: 2-furylmethanol; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
IUPAC Name: furan-2-ylmethanol; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: furan-2-ylmethanol; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C14H21N3O8
MOLECULAR WEIGHT: 359.33184
SMILES: C1=COC(=C1)CO.C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
CAS RN: 16369-40-7
CAS Name: dichlororuthenium(2+); methanone
OPENEYE Name: dichlororuthenium(2+); methanone
IUPAC Name: dichlororuthenium(2+); methanone
SYSTEMATIC NAME: bis(chloranyl)ruthenium(2+); methanone
MOLECULAR FORMULA: C2H2Cl2O2Ru
MOLECULAR WEIGHT: 230.01208
SMILES: [CH-]=O.[CH-]=O.Cl[Ru+2]Cl
CAS RN: 93859-31-5
CAS Name: disodium 2-[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]oxysulfonyl]-2H-1,3-benzoxazole-3-sulfonate
OPENEYE Name: disodium 2-[7-(diethylamino)-2-oxo-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonate
IUPAC Name: disodium 2-[7-(diethylamino)-2-oxochromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonate
SYSTEMATIC NAME: disodium 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonate
MOLECULAR FORMULA: C40H38N4Na2O18S4
MOLECULAR WEIGHT: 1036.98526
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)OS(=O)(=O)C3N(C4=CC=CC=C4O3)S(=O)(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)OS(=O)(=O)C3N(C4=CC=CC=C4O3)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 103513-39-9
CAS Name: sodium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; dioxido(oxo)silane; molybdenum; oxygen(2-); hydroxide
OPENEYE Name: sodium; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; dioxido(oxo)silane; molybdenum; oxygen(2-); hydroxide
IUPAC Name: sodium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; dioxido(oxo)silane; molybdenum; oxygen(2-); hydroxide
SYSTEMATIC NAME: sodium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; bis(oxidanidyl)-oxidanylidene-silane; molybdenum; oxygen(2-); hydroxide
MOLECULAR FORMULA: C20H32MoNNaO6Si-6
MOLECULAR WEIGHT: 529.48645
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.[OH-].[O-2].[O-2].[O-][Si](=O)[O-].[Na+].[Mo]
CAS RN: 93920-25-3
CAS Name: 16-methylheptadecanoic acid; 2-(1-piperazinyl)ethanamine
OPENEYE Name: 16-methylheptadecanoic acid; 2-piperazin-1-ylethanamine
IUPAC Name: 16-methylheptadecanoic acid; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 16-methylheptadecanoic acid; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C24H51N3O2
MOLECULAR WEIGHT: 413.68064
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.C1CN(CCN1)CCN
CAS RN: 149230-78-4
CAS Name: (E)-2-chloro-3-(chloromethyl)-2-butenedioic acid
OPENEYE Name: (E)-2-chloro-3-(chloromethyl)but-2-enedioic acid
IUPAC Name: (E)-2-chloro-3-(chloromethyl)but-2-enedioic acid
SYSTEMATIC NAME: (E)-2-chloranyl-3-(chloromethyl)but-2-enedioic acid
MOLECULAR FORMULA: C5H4Cl2O4
MOLECULAR WEIGHT: 198.98886
SMILES: C(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl
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