CAS RN: 51162-65-3
CAS Name: 3-cyclohexyl-6-ethoxy-1-methyl-1,3,5-triazine-2,4-dione
OPENEYE Name: 3-cyclohexyl-6-ethoxy-1-methyl-1,3,5-triazine-2,4-dione
IUPAC Name: 3-cyclohexyl-6-ethoxy-1-methyl-1,3,5-triazine-2,4-dione
SYSTEMATIC NAME: 3-cyclohexyl-6-ethoxy-1-methyl-1,3,5-triazine-2,4-dione
MOLECULAR FORMULA: C12H19N3O3
MOLECULAR WEIGHT: 253.29756
SMILES: CCOC1=NC(=O)N(C(=O)N1C)C2CCCCC2
Structure:
CAS RN: 51162-51-7
CAS Name: chloro-ethoxy-propan-2-yloxy-sulfanylidenephosphorane
OPENEYE Name: chloro-ethoxy-isopropoxy-thioxo-$l^{5}-phosphane
IUPAC Name: chloro-ethoxy-propan-2-yloxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: chloranyl-ethoxy-propan-2-yloxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H12ClO2PS
MOLECULAR WEIGHT: 202.639341
SMILES: CCOP(=S)(OC(C)C)Cl
Structure:
CAS RN: 51160-59-9
CAS Name: 2-propenoic acid [2-[[[3-[[2-ethylhexoxy(oxo)methyl]amino]-2-methylanilino]-oxomethoxy]methyl]-3-(1-oxoprop-2-enoxy)-2-(1-oxoprop-2-enoxymethyl)propyl] ester
OPENEYE Name: [2-[[3-(2-ethylhexoxycarbonylamino)-2-methyl-phenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
IUPAC Name: [2-[[3-(2-ethylhexoxycarbonylamino)-2-methylphenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SYSTEMATIC NAME: [2-[[3-(2-ethylhexoxycarbonylamino)-2-methyl-phenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
MOLECULAR FORMULA: C31H42N2O10
MOLECULAR WEIGHT: 602.67258
SMILES: CCCCC(CC)COC(=O)NC1=C(C(=CC=C1)NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C
Structure:
CAS RN: 51160-36-2
CAS Name: 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; 2-oxepanone
OPENEYE Name: 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethyloxy)ethanol; oxepan-2-one
MOLECULAR FORMULA: C19H26N2O7
MOLECULAR WEIGHT: 394.41894
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1.C(COCCO)O
Structure:
CAS RN: 51155-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)COC3=O
Structure:
CAS RN: 122329-39-9
CAS Name: sodium; oxygen(2-); titanium(4+)
OPENEYE Name: sodium; oxygen(2-); titanium(4+)
IUPAC Name: sodium; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: sodium; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: NaOTi+3
MOLECULAR WEIGHT: 86.85617
SMILES: [O-2].[Na+].[Ti+4]
Structure:
CAS RN: 51142-87-1
CAS Name: sodium; oxygen(2-); titanium(4+)
OPENEYE Name: sodium; oxygen(2-); titanium(4+)
IUPAC Name: sodium; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: sodium; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: NaOTi+3
MOLECULAR WEIGHT: 86.85617
SMILES: [O-2].[Na+].[Ti+4]
Structure:
CAS RN: 744245-38-3
CAS Name: sodium; oxygen(2-); titanium(4+)
OPENEYE Name: sodium; oxygen(2-); titanium(4+)
IUPAC Name: sodium; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: sodium; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: NaOTi+3
MOLECULAR WEIGHT: 86.85617
SMILES: [O-2].[Na+].[Ti+4]
Structure:
CAS RN: 51135-38-7
CAS Name: 7-benzoyl-1,3-dihydroindol-2-one
OPENEYE Name: 7-benzoylindolin-2-one
IUPAC Name: 7-benzoyl-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 7-(phenylcarbonyl)-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1C2=CC=CC(=C2NC1=O)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 51121-95-0
CAS Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione
OPENEYE Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione
IUPAC Name: 2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C20H22O9
MOLECULAR WEIGHT: 406.38328
SMILES: C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O
Structure:
CAS RN: 51115-88-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1(CCC2C3(C14CCC(C3)(CC4)C)O2)C
Structure:
CAS RN: 51100-54-0
CAS Name: 1-decen-3-ol
OPENEYE Name: dec-1-en-3-ol
IUPAC Name: dec-1-en-3-ol
SYSTEMATIC NAME: dec-1-en-3-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCCCCC(C=C)O
Structure:
CAS RN: 51095-58-0
CAS Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxopropan-2-yl]-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C10H16N4O5
MOLECULAR WEIGHT: 272.25784
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N
Structure:
CAS RN: 51094-78-1
CAS Name: 1-butanolate; tantalum(5+)
OPENEYE Name: butan-1-olate; tantalum(5+)
IUPAC Name: butan-1-olate; tantalum(5+)
SYSTEMATIC NAME: butan-1-olate; tantalum(5+)
MOLECULAR FORMULA: C20H45O5Ta
MOLECULAR WEIGHT: 546.5162
SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ta+5]
Structure:
CAS RN: 51093-55-1
CAS Name: 8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
OPENEYE Name: 8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
IUPAC Name: 8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 8-(dimethylamino)-7-methyl-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C18H23N5O6
MOLECULAR WEIGHT: 405.40512
SMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
Structure:
CAS RN: 51085-07-5
CAS Name: 2,9-dichloro-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
OPENEYE Name: 2,9-dichloro-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
IUPAC Name: 2,9-dichloro-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
SYSTEMATIC NAME: 2,9-bis(chloranyl)-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
MOLECULAR FORMULA: C20H12Cl2N2O2
MOLECULAR WEIGHT: 383.22748
SMILES: C1C2=C(CC3=C1NC4=C(C3=O)C=C(C=C4)Cl)NC5=C(C2=O)C=C(C=C5)Cl
Structure:
CAS RN: 51084-32-3
CAS Name: cobalt(2+); 4-methoxycarbonylbenzoate
OPENEYE Name: cobaltous 4-methoxycarbonylbenzoate
IUPAC Name: cobalt(2+); 4-methoxycarbonylbenzoate
SYSTEMATIC NAME: cobalt(2+); 4-methoxycarbonylbenzoate
MOLECULAR FORMULA: C18H14CoO8
MOLECULAR WEIGHT: 417.23216
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)[O-].COC(=O)C1=CC=C(C=C1)C(=O)[O-].[Co+2]
Structure:
CAS RN: 51076-14-3
CAS Name: 3,11-dihydroxyhexadecanoic acid
OPENEYE Name: 3,11-dihydroxyhexadecanoic acid
IUPAC Name: 3,11-dihydroxyhexadecanoic acid
SYSTEMATIC NAME: 3,11-bis(oxidanyl)hexadecanoic acid
MOLECULAR FORMULA: C16H32O4
MOLECULAR WEIGHT: 288.42288
SMILES: CCCCCC(CCCCCCCC(CC(=O)O)O)O
Structure:
CAS RN: 51072-66-3
CAS Name: 1-bromo-4,5-dimethoxy-2-nitrobenzene
OPENEYE Name: 1-bromo-4,5-dimethoxy-2-nitro-benzene
IUPAC Name: 1-bromo-4,5-dimethoxy-2-nitrobenzene
SYSTEMATIC NAME: 1-bromanyl-4,5-dimethoxy-2-nitro-benzene
MOLECULAR FORMULA: C8H8BrNO4
MOLECULAR WEIGHT: 262.05742
SMILES: COC1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC
Structure:
CAS RN: 51053-33-9
CAS Name: 2-(3,3-dinitropropyl)phenol
OPENEYE Name: 2-(3,3-dinitropropyl)phenol
IUPAC Name: 2-(3,3-dinitropropyl)phenol
SYSTEMATIC NAME: 2-(3,3-dinitropropyl)phenol
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1=CC=C(C(=C1)CCC([N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 51034-65-2
CAS Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-azido-3-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-azido-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H14N6O10P2
MOLECULAR WEIGHT: 428.189182
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 51030-47-8
CAS Name: 1-butanolate; niobium(5+)
OPENEYE Name: butan-1-olate; niobium(5+)
IUPAC Name: butan-1-olate; niobium(5+)
SYSTEMATIC NAME: butan-1-olate; niobium(5+)
MOLECULAR FORMULA: C20H45NbO5
MOLECULAR WEIGHT: 458.47468
SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Nb+5]
Structure:
CAS RN: 51029-30-2
CAS Name: N-(9H-fluoren-3-yl)hydroxylamine
OPENEYE Name: N-(9H-fluoren-3-yl)hydroxylamine
IUPAC Name: N-(9H-fluoren-3-yl)hydroxylamine
SYSTEMATIC NAME: N-(9H-fluoren-3-yl)hydroxylamine
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C1C2=C(C=C(C=C2)NO)C3=CC=CC=C31
Structure:
CAS RN: 51026-21-2
CAS Name: 2-[[4-(2-oxiranylmethyl)phenyl]methyl]oxirane
OPENEYE Name: 2-[[4-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
IUPAC Name: 2-[[4-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SYSTEMATIC NAME: 2-[[4-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C1C(O1)CC2=CC=C(C=C2)CC3CO3
Structure:
CAS RN: 51004-30-9
CAS Name: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydroc
OPENEYE Name: aluminum; magnesium; 2-acetoxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochl
IUPAC Name: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydroc
SYSTEMATIC NAME: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide;
MOLECULAR FORMULA: C50H60AlClMgN6O20
MOLECULAR WEIGHT: 1151.779138
SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.CNC[C@@H](C1=CC(=CC=C1)O)O.CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.C(=O)([O-])[O-].[OH-].[OH-].[OH-].[Mg+2].[Al+3].Cl
Structure:
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