Saturday, November 26, 2011

http://ChemLookup.com Compounds




CAS RN: 72283-97-7
CAS Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 4-amino-2-hydroxybenzoic acid
OPENEYE Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 4-amino-2-hydroxy-benzoic acid
IUPAC Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 4-amino-2-hydroxybenzoic acid
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 4-azanyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C29H31N3O11
MOLECULAR WEIGHT: 597.56994
SMILES: C[C@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.C1=CC(=C(C=C1N)O)C(=O)O
Structure:

CAS RN: 72343-06-7
CAS Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]benzohydrazide
OPENEYE Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]benzohydrazide
IUPAC Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]benzohydrazide
SYSTEMATIC NAME: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]benzohydrazide
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: CC1=NC=C(/C(=C\NNC(=O)C2=CC=CC=C2)/C1=O)CO
Structure:

CAS RN: 71789-17-8
CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one
OPENEYE Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one; 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C34H30N2O9
MOLECULAR WEIGHT: 610.61
SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Structure:

CAS RN: 71732-53-1
CAS Name: (Z,3S)-1-diazonio-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-buten-2-olate
OPENEYE Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-but-1-en-2-olate
IUPAC Name: (Z,3S)-1-diazonio-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
SYSTEMATIC NAME: (Z,3S)-1-diazonio-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
MOLECULAR FORMULA: C21H22N4O4
MOLECULAR WEIGHT: 394.42378
SMILES: C[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
Structure:

CAS RN: 70466-21-6
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-methylanilino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-methylanilino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-methylanilino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-3-[1-[(4-methylphenyl)amino]ethylidene]-6-oxidanyl-pyran-2,4-dione
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CC1=CC=C(C=C1)N/C(=C\2/C(=O)C(=C(OC2=O)O)C(=O)C)/C
Structure:

CAS RN: 70399-15-4
CAS Name: 4,7,8-trihydroxy-6-oxo-2-benzo[c][1]benzopyrancarboxylic acid ethyl ester
OPENEYE Name: ethyl 4,7,8-trihydroxy-6-oxo-benzo[c]chromene-2-carboxylate
IUPAC Name: ethyl 4,7,8-trihydroxy-6-oxobenzo[c]chromene-2-carboxylate
SYSTEMATIC NAME: ethyl 4,7,8-tris(oxidanyl)-6-oxidanylidene-benzo[c]chromene-2-carboxylate
MOLECULAR FORMULA: C16H12O7
MOLECULAR WEIGHT: 316.26228
SMILES: CCOC(=O)C1=CC(=C2C(=C1)C3=C(C(=C(C=C3)O)O)C(=O)O2)O
Structure:

CAS RN: 70288-92-5
CAS Name: 7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-1-benzopyran-4-one
OPENEYE Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-chromen-4-one
IUPAC Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O18
MOLECULAR WEIGHT: 656.54288
SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:

CAS RN: 70209-82-4
CAS Name: (Z)-3-amino-1-diazonio-1-buten-2-olate
OPENEYE Name: (Z)-3-amino-1-diazonio-but-1-en-2-olate
IUPAC Name: (Z)-3-amino-1-diazoniobut-1-en-2-olate
SYSTEMATIC NAME: (Z)-3-azanyl-1-diazonio-but-1-en-2-olate
MOLECULAR FORMULA: C4H7N3O
MOLECULAR WEIGHT: 113.11788
SMILES: CC(/C(=C/[N+]#N)/[O-])N
Structure:

CAS RN: 70056-56-3
CAS Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-6-methoxy-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C22H22O12
MOLECULAR WEIGHT: 478.40288
SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:

CAS RN: 70703-48-9
CAS Name: 3,5,8-trihydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3,5,8-trihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 3,5,8-trihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(4-methoxyphenyl)-3,5,8-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)O)O
Structure:

CAS RN: 69935-17-7
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride
MOLECULAR FORMULA: C22H29ClN2O10
MOLECULAR WEIGHT: 516.92606
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.O.Cl
Structure:

CAS RN: 69145-32-0
CAS Name: 2-nitro-6-[3-nitro-2-(propylamino)-5-(trifluoromethyl)phenyl]azo-N-propyl-4-(trifluoromethyl)aniline
OPENEYE Name: 2-nitro-6-[3-nitro-2-(propylamino)-5-(trifluoromethyl)phenyl]azo-N-propyl-4-(trifluoromethyl)aniline
IUPAC Name: 2-nitro-6-[[3-nitro-2-(propylamino)-5-(trifluoromethyl)phenyl]diazenyl]-N-propyl-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-nitro-6-[[3-nitro-2-(propylamino)-5-(trifluoromethyl)phenyl]diazenyl]-N-propyl-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C20H20F6N6O4
MOLECULAR WEIGHT: 522.401019
SMILES: CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)N=NC2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])NCCC
Structure:

CAS RN: 68985-96-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O9
MOLECULAR WEIGHT: 516.58004
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]23COC(C1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)C[C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)C)O)C)O)O
Structure:

CAS RN: 68592-14-3
CAS Name: 5,7-dihydroxy-2-phenyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:

CAS RN: 68592-13-2
CAS Name: 3,5-dihydroxy-2-phenyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3,5-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Structure:

CAS RN: 68566-74-5
CAS Name: 7-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-1-benzopyran-4-one
OPENEYE Name: 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chromen-4-one
IUPAC Name: 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O
Structure:

CAS RN: 68321-11-9
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O11
MOLECULAR WEIGHT: 448.3769
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O
Structure:

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