CAS RN: 53043-29-1
CAS Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,1
OPENEYE Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropy
IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-hep
SYSTEMATIC NAME: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-2,2,6a,6b,9
MOLECULAR FORMULA: C48H78O18
MOLECULAR WEIGHT: 943.12212
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O
Structure:
CAS RN: 53032-95-4
CAS Name: 3-(4-carbamimidoylphenyl)-2-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-carbamimidoylphenyl)-2-oxo-propanoate
IUPAC Name: ethyl 3-(4-carbamimidoylphenyl)-2-oxopropanoate
SYSTEMATIC NAME: ethyl 3-(4-carbamimidoylphenyl)-2-oxidanylidene-propanoate
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: CCOC(=O)C(=O)CC1=CC=C(C=C1)C(=N)N
Structure:
CAS RN: 53032-72-7
CAS Name: phosphorous acid 6-[[2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenoxy]-(4-octylphenoxy)phosphino]oxyhexyl [2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenyl] (4-octylphenyl) ester
OPENEYE Name: 6-[[2-butyl-4-[1-(5-butyl-4-hydroxy-2-methyl-phenyl)butyl]-5-methyl-phenoxy]-(4-octylphenoxy)phosphanyl]oxyhexyl [2-butyl-4-[1-(5-butyl-4-hydroxy-2-methyl-phenyl)butyl]-5-methyl-phenyl] (4-octylphenyl) phosphite
IUPAC Name: 6-[[2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenoxy]-(4-octylphenoxy)phosphanyl]oxyhexyl [2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenyl] (4-octylphenyl) phosphite
SYSTEMATIC NAME: 6-[[2-butyl-4-[1-(5-butyl-2-methyl-4-oxidanyl-phenyl)butyl]-5-methyl-phenoxy]-(4-octylphenoxy)phosphanyl]oxyhexyl [2-butyl-4-[1-(5-butyl-2-methyl-4-oxidanyl-phenyl)butyl]-5-methyl-phenyl] (4-octylphenyl) phosphite
MOLECULAR FORMULA: C86H128O8P2
MOLECULAR WEIGHT: 1351.879242
SMILES: CCCCCCCCC1=CC=C(C=C1)OP(OCCCCCCOP(OC2=CC=C(C=C2)CCCCCCCC)OC3=C(C=C(C(=C3)C)C(CCC)C4=CC(=C(C=C4C)O)CCCC)CCCC)OC5=C(C=C(C(=C5)C)C(CCC)C6=CC(=C(C=C6C)O)CCCC)CCCC
Structure:
CAS RN: 273723-64-1
CAS Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
OPENEYE Name: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H21NO3S2
MOLECULAR WEIGHT: 399.52634
SMILES: CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 53019-76-4
CAS Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
OPENEYE Name: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H21NO3S2
MOLECULAR WEIGHT: 399.52634
SMILES: CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 53011-73-7
CAS Name: 1-(3-furanyl)pentane-2,4-diol
OPENEYE Name: 1-(3-furyl)pentane-2,4-diol
IUPAC Name: 1-(furan-3-yl)pentane-2,4-diol
SYSTEMATIC NAME: 1-(furan-3-yl)pentane-2,4-diol
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC(CC(CC1=COC=C1)O)O
Structure:
CAS RN: 52995-55-8
CAS Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl]-4-triazolecarbonitrile
OPENEYE Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]triazole-4-carbonitrile
IUPAC Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile
SYSTEMATIC NAME: 1-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-1,2,3-triazole-4-carbonitrile
MOLECULAR FORMULA: C13H14N6O4
MOLECULAR WEIGHT: 318.28806
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C=C(N=N3)C#N)O
Structure:
CAS RN: 52995-53-6
CAS Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl]-4-triazolecarboxylic acid
OPENEYE Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]triazole-4-carboxylic acid
IUPAC Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carboxylic acid
SYSTEMATIC NAME: 1-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C13H15N5O6
MOLECULAR WEIGHT: 337.2881
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C=C(N=N3)C(=O)O)O
Structure:
CAS RN: 52995-51-4
CAS Name: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl]triazole-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]triazole-4,5-dicarboxylate
IUPAC Name: dimethyl 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C16H19N5O8
MOLECULAR WEIGHT: 409.35076
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C(=C(N=N3)C(=O)OC)C(=O)OC)O
Structure:
CAS RN: 52995-49-0
CAS Name: (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanecarbonitrile
OPENEYE Name: (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carbonitrile
IUPAC Name: (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
SYSTEMATIC NAME: (2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carbonitrile
MOLECULAR FORMULA: C10H11N3O4
MOLECULAR WEIGHT: 237.21204
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C#N)O
Structure:
CAS RN: 52995-48-9
CAS Name: (2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanecarboxamide
OPENEYE Name: (2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carboxamide
IUPAC Name: (2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxamide
MOLECULAR FORMULA: C10H13N3O5
MOLECULAR WEIGHT: 255.22732
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(=O)N)O
Structure:
CAS RN: 52988-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O8S2
MOLECULAR WEIGHT: 486.55904
SMILES: C[C@@H]1C(C(=O)[C@@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(C[C@]45N3C(=O)[C@](N(C4=O)C)(SS5)CO)O)(C)C
Structure:
CAS RN: 52970-22-6
CAS Name: sodium; 4-formyl-2-nitrosophenolate; iron(2+)
OPENEYE Name: ferrous sodium 4-formyl-2-nitroso-phenolate
IUPAC Name: sodium; 4-formyl-2-nitrosophenolate; iron(2+)
SYSTEMATIC NAME: sodium; iron(2+); 4-methanoyl-2-nitroso-phenolate
MOLECULAR FORMULA: C21H12FeN3NaO9
MOLECULAR WEIGHT: 529.16945
SMILES: C1=CC(=C(C=C1C=O)N=O)[O-].C1=CC(=C(C=C1C=O)N=O)[O-].C1=CC(=C(C=C1C=O)N=O)[O-].[Na+].[Fe+2]
Structure:
CAS RN: 52933-62-7
CAS Name: iron(3+); oxygen(2-); zirconium(4+)
OPENEYE Name: ferric; oxygen(2-); zirconium(4+)
IUPAC Name: iron(3+); oxygen(2-); zirconium(4+)
SYSTEMATIC NAME: iron(3+); oxygen(2-); zirconium(4+)
MOLECULAR FORMULA: FeOZr+5
MOLECULAR WEIGHT: 163.0684
SMILES: [O-2].[Fe+3].[Zr+4]
Structure:
CAS RN: 154043-69-3
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: C=CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 173357-38-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: C=CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 258826-04-9
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: C=CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 52880-57-6
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; prop-2-enoic acid
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: C=CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 52872-13-6
CAS Name: 7-methyl-3-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
OPENEYE Name: 7-methyl-3-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
IUPAC Name: 7-methyl-3-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
SYSTEMATIC NAME: 7-methyl-3-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
MOLECULAR FORMULA: C18H12F3NS
MOLECULAR WEIGHT: 331.35479
SMILES: CC1=C2CSC3=C(C2=NC4=CC=CC=C14)C=CC(=C3)C(F)(F)F
Structure:
CAS RN: 52869-98-4
CAS Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone; N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide
OPENEYE Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one; N-phenyl-N-[1-(2-phenylethyl)-4-piperidyl]propanamide
IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one; N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one; N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C43H53FN4O3
MOLECULAR WEIGHT: 692.904323
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 52869-93-9
CAS Name: calcium; barium(2+); oxygen(2-); titanium(4+)
OPENEYE Name: calcium; barium(2+); oxygen(2-); titanium(4+)
IUPAC Name: calcium; barium(2+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: calcium; barium(2+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: BaCaOTi+6
MOLECULAR WEIGHT: 241.2714
SMILES: [O-2].[Ca+2].[Ti+4].[Ba+2]
Structure:
CAS RN: 52869-91-7
CAS Name: aluminum; barium(2+); oxygen(2-); titanium(4+)
OPENEYE Name: aluminum; barium(2+); oxygen(2-); titanium(4+)
IUPAC Name: aluminum; barium(2+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: aluminum; barium(2+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: AlBaOTi+7
MOLECULAR WEIGHT: 228.174938
SMILES: [O-2].[Al+3].[Ti+4].[Ba+2]
Structure:
CAS RN: 52833-88-2
CAS Name: 7-methyl-4-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
OPENEYE Name: 7-methyl-4-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
IUPAC Name: 7-methyl-4-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
SYSTEMATIC NAME: 7-methyl-4-(trifluoromethyl)-6H-thiochromeno[4,3-b]quinoline
MOLECULAR FORMULA: C18H12F3NS
MOLECULAR WEIGHT: 331.35479
SMILES: CC1=C2CSC3=C(C2=NC4=CC=CC=C14)C=CC=C3C(F)(F)F
Structure:
CAS RN: 52833-76-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12F3NS
MOLECULAR WEIGHT: 355.37619
SMILES: C1C2=C(C3=C(S1)C=C(C=C3)C(F)(F)F)NC4=C2C5=CC=CC=C5C=C4
Structure:
CAS RN: 52833-74-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12F3NS
MOLECULAR WEIGHT: 355.37619
SMILES: C1C2=C(C3=C(S1)C=C(C=C3)C(F)(F)F)NC4=C2C=CC5=CC=CC=C54
Structure:
CAS RN: 52831-67-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C(=CC=C3)F)NC4=C2C5=CC=CC=C5C=C4
Structure:
CAS RN: 52831-64-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C=C(C=C3)F)NC4=C2C5=CC=CC=C5C=C4
Structure:
CAS RN: 52831-55-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C=C(C=C3)F)NC4=C2C=CC5=CC=CC=C54
Structure:
CAS RN: 52831-52-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C=CC(=C3)F)NC4=C2C5=CC=CC=C5C=C4
Structure:
CAS RN: 52831-41-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C=CC(=C3)F)NC4=C2C=CC5=CC=CC=C54
Structure:
CAS RN: 52831-44-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12FNS
MOLECULAR WEIGHT: 305.368683
SMILES: C1C2=C(C3=C(S1)C=CC(=C3)F)NC4=C2C=CC5=CC=CC=C54
Structure:
CAS RN: 52831-07-9
CAS Name: buta-1,3-diene; 2-methylenebutanedioic acid; 2-methyl-2-propenoic acid; styrene
OPENEYE Name: buta-1,3-diene; 2-methylenebutanedioic acid; 2-methylprop-2-enoic acid; styrene
IUPAC Name: buta-1,3-diene; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: buta-1,3-diene; ethenylbenzene; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C21H26O6
MOLECULAR WEIGHT: 374.42754
SMILES: CC(=C)C(=O)O.C=CC=C.C=CC1=CC=CC=C1.C=C(CC(=O)O)C(=O)O
Structure:
CAS RN: 52828-97-4
CAS Name: methyl sulfate; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)-3-(trimethylammonio)propyl]ammonium
OPENEYE Name: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylammonio)propyl]ammonium
IUPAC Name: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
SYSTEMATIC NAME: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
MOLECULAR FORMULA: C15H34N2O10S2
MOLECULAR WEIGHT: 466.56786
SMILES: CC(=C)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
Structure:
CAS RN: 52847-42-4
CAS Name: methyl sulfate; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)-3-(trimethylammonio)propyl]ammonium
OPENEYE Name: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylammonio)propyl]ammonium
IUPAC Name: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
SYSTEMATIC NAME: methyl sulfate; trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
MOLECULAR FORMULA: C15H34N2O10S2
MOLECULAR WEIGHT: 466.56786
SMILES: CC(=C)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
Structure:
CAS RN: 52768-11-3
CAS Name: N-(2-methyl-2-nitropropyl)-N-(4-nitrosophenyl)nitrous amide
OPENEYE Name: N-(2-methyl-2-nitro-propyl)-N-(4-nitrosophenyl)nitrous amide
IUPAC Name: N-(2-methyl-2-nitropropyl)-N-(4-nitrosophenyl)nitrous amide
SYSTEMATIC NAME: N-(2-methyl-2-nitro-propyl)-N-(4-nitrosophenyl)nitrous amide
MOLECULAR FORMULA: C10H12N4O4
MOLECULAR WEIGHT: 252.22668
SMILES: CC(C)(CN(C1=CC=C(C=C1)N=O)N=O)[N+](=O)[O-]
Structure:
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