CAS RN: 65300-05-2
CAS Name: 2-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
OPENEYE Name: 2-(4-bromo-3-methyl-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
IUPAC Name: 2-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SYSTEMATIC NAME: 2-(4-bromanyl-3-methyl-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
MOLECULAR FORMULA: C13H14BrN3O2
MOLECULAR WEIGHT: 324.17316
SMILES: CC1=C(C=CC(=C1)N2C(=O)N3CCCCN3C2=O)Br
Structure:
CAS RN: 64976-62-1
CAS Name: oxido-(1-pyrenyl)-(1-pyrenylimino)ammonium
OPENEYE Name: oxido-pyren-1-yl-pyren-1-ylimino-ammonium
IUPAC Name: oxido-pyren-1-yl-pyren-1-yliminoazanium
SYSTEMATIC NAME: oxidanidyl-pyren-1-yl-pyren-1-ylimino-azanium
MOLECULAR FORMULA: C32H18N2O
MOLECULAR WEIGHT: 446.49812
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N=[N+](C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)[O-]
Structure:
CAS RN: 58409-57-7
CAS Name: (10S,11R)-10,11-dihydrobenzo[a]anthracene-10,11-diol
OPENEYE Name: (10S,11R)-10,11-dihydrobenzo[a]anthracene-10,11-diol
IUPAC Name: (10S,11R)-10,11-dihydrobenzo[a]anthracene-10,11-diol
SYSTEMATIC NAME: (10S,11R)-10,11-dihydrobenzo[a]anthracene-10,11-diol
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)[C@H]([C@H](C=C4)O)O
Structure:
CAS RN: 64909-33-7
CAS Name: (2R,3S)-2,3-dihydrobenzo[a]anthracene-2,3-diol
OPENEYE Name: (2R,3S)-2,3-dihydrobenzo[a]anthracene-2,3-diol
IUPAC Name: (2R,3S)-2,3-dihydrobenzo[a]anthracene-2,3-diol
SYSTEMATIC NAME: (2R,3S)-2,3-dihydrobenzo[a]anthracene-2,3-diol
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C[C@@H]([C@@H](C=C43)O)O
Structure:
CAS RN: 64890-68-2
CAS Name: einsteinium; 2-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: einsteinium citrate
IUPAC Name: einsteinium; 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: einsteinium; 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5EsO7-3
MOLECULAR WEIGHT: 441.18267
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Es]
Structure:
CAS RN: 64766-24-1
CAS Name: (1S,2R)-1,2-diphenylacenaphthylene-1,2-diol
OPENEYE Name: (1S,2R)-1,2-diphenylacenaphthylene-1,2-diol
IUPAC Name: (1S,2R)-1,2-diphenylacenaphthylene-1,2-diol
SYSTEMATIC NAME: (1S,2R)-1,2-diphenylacenaphthylene-1,2-diol
MOLECULAR FORMULA: C24H18O2
MOLECULAR WEIGHT: 338.39852
SMILES: C1=CC=C(C=C1)[C@]2(C3=CC=CC4=C3C(=CC=C4)[C@]2(C5=CC=CC=C5)O)O
Structure:
CAS RN: 64754-06-9
CAS Name: acetic acid [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxohexyl] ester
OPENEYE Name: [(2R,3R,4S,5R)-2,3,4,5-tetraacetoxy-6-isothiocyanato-6-oxo-hexyl] acetate
IUPAC Name: [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxohexyl] acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxidanylidene-hexyl] ethanoate
MOLECULAR FORMULA: C17H21NO11S
MOLECULAR WEIGHT: 447.41374
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 6646-70-4
CAS Name: 2-octanol; 2-octanone
OPENEYE Name: octan-2-ol; octan-2-one
IUPAC Name: octan-2-ol; octan-2-one
SYSTEMATIC NAME: octan-2-ol; octan-2-one
MOLECULAR FORMULA: C16H34O2
MOLECULAR WEIGHT: 258.43996
SMILES: CCCCCCC(C)O.CCCCCCC(=O)C
Structure:
CAS RN: 64039-04-9
CAS Name: 2-(nitrosothio)acetic acid
OPENEYE Name: 2-nitrososulfanylacetic acid
IUPAC Name: 2-nitrososulfanylacetic acid
SYSTEMATIC NAME: 2-nitrososulfanylethanoic acid
MOLECULAR FORMULA: C2H3NO3S
MOLECULAR WEIGHT: 121.11512
SMILES: C(C(=O)O)SN=O
Structure:
CAS RN: 872688-17-0
CAS Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]-1-propanesulfonic acid
OPENEYE Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid
IUPAC Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[2-azanyl-5-[4-azanyl-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid
MOLECULAR FORMULA: C18H24N2O8S2
MOLECULAR WEIGHT: 460.52176
SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O)N
Structure:
CAS RN: 56709-26-3
CAS Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
OPENEYE Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
IUPAC Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
SYSTEMATIC NAME: 3-methyl-10-[6-methyl-1,6,9-tris(oxidanyl)-8-oxidanylidene-5,7-dihydroanthracen-2-yl]-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C30H24O7
MOLECULAR WEIGHT: 496.50736
SMILES: CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4)O)O)O
Structure:
CAS RN: 6351-57-1
CAS Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
OPENEYE Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
IUPAC Name: 1,8-dihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
SYSTEMATIC NAME: 3-methyl-10-[6-methyl-1,6,9-tris(oxidanyl)-8-oxidanylidene-5,7-dihydroanthracen-2-yl]-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C30H24O7
MOLECULAR WEIGHT: 496.50736
SMILES: CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4)O)O)O
Structure:
CAS RN: 56651-60-6
CAS Name: 1-(isocyanatomethyl)-4-methoxybenzene
OPENEYE Name: 1-(isocyanatomethyl)-4-methoxy-benzene
IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(isocyanatomethyl)-4-methoxy-benzene
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: COC1=CC=C(C=C1)CN=C=O
Structure:
CAS RN: 50931-20-9
CAS Name: americium-241 trinitrate
OPENEYE Name: americium-241 trinitrate
IUPAC Name: americium-241 trinitrate
SYSTEMATIC NAME: americium-241 trinitrate
MOLECULAR FORMULA: AmN3O9-3
MOLECULAR WEIGHT: 427.071523
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[241Am]
Structure:
CAS RN: 63450-94-2
CAS Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2R,3R)-2-[(2R)-2-(hydroxymethyl)-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C50H44O20
MOLECULAR WEIGHT: 964.87236
SMILES: COC1=C(C=CC(=C1)C2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O.COC1=C(C=CC(=C1)C2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
Structure:
CAS RN: 63450-66-8
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
OPENEYE Name: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
IUPAC Name: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
SYSTEMATIC NAME: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
MOLECULAR FORMULA: C30H46O6
MOLECULAR WEIGHT: 502.68264
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O
Structure:
CAS RN: 56282-14-5
CAS Name: 3-(1-naphthalenyl)-3H-isobenzofuran-1-one
OPENEYE Name: 3-(1-naphthyl)-3H-isobenzofuran-1-one
IUPAC Name: 3-naphthalen-1-yl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-naphthalen-1-yl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C18H12O2
MOLECULAR WEIGHT: 260.28668
SMILES: C1=CC=C2C(=C1)C=CC=C2C3C4=CC=CC=C4C(=O)O3
Structure:
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