Saturday, November 26, 2011

http://ChemLookup.com Compounds




CAS RN: 178181-50-5
CAS Name: (4R,7S,10R,13S,16S,19R)-10-(4-aminobutyl)-N-(1,3-dihydroxybutan-2-yl)-19-[[(2R)-2-[(2-fluoro-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaza
OPENEYE Name: (4R,7S,10R,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-19-[[(2R)-2-(2-fluoropropanoylamino)-3-phenyl-propanoyl]amino]-7-(1-hydroxyethyl)-N-[2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyclo
IUPAC Name: (4R,7S,10R,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-19-[[(2R)-2-(2-fluoropropanoylamino)-3-phenylpropanoyl]amino]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-c
SYSTEMATIC NAME: (4R,7S,10R,13S,16S,19R)-10-(4-azanylbutyl)-N-[1,3-bis(oxidanyl)butan-2-yl]-19-[[(2R)-2-(2-fluoranylpropanoylamino)-3-phenyl-propanoyl]amino]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-16-(phenylmethyl)-1,2-dithia-5,8,
MOLECULAR FORMULA: C52H69FN10O11S2
MOLECULAR WEIGHT: 1093.293063
SMILES: CC([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)C(C)F)C(=O)NC(CO)C(C)O)O
Structure:

CAS RN: 80286-75-5
CAS Name: (6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
OPENEYE Name: (6S,6aR,9R,10aR)-6-methyl-3-[(1R)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
IUPAC Name: (6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
SYSTEMATIC NAME: (6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
MOLECULAR FORMULA: C25H33NO3
MOLECULAR WEIGHT: 395.53442
SMILES: C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(C=C(C=C3N1)O[C@H](C)CCCC4=CC=CC=C4)O)O
Structure:

CAS RN: 78091-12-0
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propyl]a
OPENEYE Name: cobaltic [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydroc
MOLECULAR FORMULA: C62H91ClCoN13O15P+
MOLECULAR WEIGHT: 1383.824001
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(/C(=C/C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].Cl.[Co+3]
Structure:

CAS RN: 78847-63-9
CAS Name: 9-[4-(methanesulfonamido)-2-methoxyanilino]-6-nitro-4-acridinecarboxamide
OPENEYE Name: 9-[4-(methanesulfonamido)-2-methoxy-anilino]-6-nitro-acridine-4-carboxamide
IUPAC Name: 9-[4-(methanesulfonamido)-2-methoxyanilino]-6-nitroacridine-4-carboxamide
SYSTEMATIC NAME: 9-[[2-methoxy-4-(methylsulfonylamino)phenyl]amino]-6-nitro-acridine-4-carboxamide
MOLECULAR FORMULA: C22H19N5O6S
MOLECULAR WEIGHT: 481.48116
SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=C2C=CC=C4C(=O)N)[N+](=O)[O-]
Structure:

CAS RN: 78706-09-9
CAS Name: N-[(Z)-6H-pyrrolo[2,3-c]carbazol-1-ylidenemethyl]hydroxylamine
OPENEYE Name: N-[(Z)-6H-pyrrolo[2,3-c]carbazol-1-ylidenemethyl]hydroxylamine
IUPAC Name: N-[(Z)-6H-pyrrolo[2,3-c]carbazol-1-ylidenemethyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-6H-pyrrolo[2,3-c]carbazol-1-ylidenemethyl]hydroxylamine
MOLECULAR FORMULA: C15H11N3O
MOLECULAR WEIGHT: 249.26734
SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC4=C3/C(=C/NO)/C=N4
Structure:

CAS RN: 78432-75-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12N2O2
MOLECULAR WEIGHT: 276.28938
SMILES: COC1=CC2=CC=NC3=C(C4=CC=CC=C4C(=C23)C1=O)N
Structure:

CAS RN: 78416-88-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: COC1=C(C2=C3C=CC(=O)C=C3C4=C2C(=C1)C=CN4)OC
Structure:

CAS RN: 78416-87-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13NO4
MOLECULAR WEIGHT: 307.30012
SMILES: COC1=C(C2=C3C=CC(=O)C=C3C(=O)C4=C2C(=C1)C=CN4)OC
Structure:

CAS RN: 78214-15-0
CAS Name: (2Z)-2-[(Z)-4-(4-oxo-1-cyclohexa-2,5-dienylidene)but-2-enylidene]-1H-3,1-benzoxazin-4-one
OPENEYE Name: (2Z)-2-[(Z)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)but-2-enylidene]-1H-3,1-benzoxazin-4-one
IUPAC Name: (2Z)-2-[(Z)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)but-2-enylidene]-1H-3,1-benzoxazin-4-one
SYSTEMATIC NAME: (2Z)-2-[(Z)-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)but-2-enylidene]-1H-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: C1=CC=C2C(=C1)C(=O)O/C(=C\C=C/C=C3C=CC(=O)C=C3)/N2
Structure:

CAS RN: 78164-38-2
CAS Name: (2Z)-6-hydroxy-2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-3,1-benzoxazin-4-one
OPENEYE Name: (2Z)-6-hydroxy-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-3,1-benzoxazin-4-one
IUPAC Name: (2Z)-6-hydroxy-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-3,1-benzoxazin-4-one
SYSTEMATIC NAME: (2Z)-6-oxidanyl-2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C1=CC(=O)C=CC1=C/C=C\2/NC3=C(C=C(C=C3)O)C(=O)O2
Structure:

CAS RN: 78134-93-7
CAS Name: 3-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=CC=C1C2=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[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
Structure:

CAS RN: 77795-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: CC[C@H]1CC2C[C@@H]3[C@H]1N4C2O[C@@H](C4)C5=C3NC6=C5C=C(C=C6)OC
Structure:

CAS RN: 77803-32-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: CC[C@H]1CC2C[C@@H]3[C@H]1N4C2O[C@@H](C4)C5=C3NC6=C5C=C(C=C6)OC
Structure:

CAS RN: 77768-58-2
CAS Name: (2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)propanenitrile
OPENEYE Name: (2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)propanenitrile
IUPAC Name: (2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)propanenitrile
SYSTEMATIC NAME: (2Z)-3-(2-chlorophenyl)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)propanenitrile
MOLECULAR FORMULA: C18H11ClN2OS
MOLECULAR WEIGHT: 338.81074
SMILES: C1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C(=O)C3=CC=CC=C3Cl)/N2
Structure:

CAS RN: 77331-73-8
CAS Name: 3-hydroxy-7,9-dimethoxy-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 3-hydroxy-7,9-dimethoxy-benzofuro[3,2-c]chromen-6-one
IUPAC Name: 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 7,9-dimethoxy-3-oxidanyl-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C17H12O6
MOLECULAR WEIGHT: 312.27358
SMILES: COC1=CC(=C2C(=C1)OC3=C2C(=O)OC4=C3C=CC(=C4)O)OC
Structure:

CAS RN: 77154-70-2
CAS Name: (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid (7-hydroxy-4-oxo-1-benzopyran-3-yl) ester
OPENEYE Name: (7-hydroxy-4-oxo-chromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate
IUPAC Name: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
SYSTEMATIC NAME: (7-oxidanyl-4-oxidanylidene-chromen-3-yl) (2S,3S,4S,5R,6R)-5-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C27H28O18
MOLECULAR WEIGHT: 640.50042
SMILES: C1=CC(=C(C=C1[C@]2([C@H]([C@@H]([C@](O[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)(C(=O)OC4=COC5=C(C4=O)C=CC(=C5)O)O)O)O)O)O)O
Structure:

CAS RN: 77121-89-2
CAS Name: (2Z)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]amino]methylamino]methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrochloride
OPENEYE Name: (2Z)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]methylamino]methylene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrochloride
IUPAC Name: (2Z)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methylamino]methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrochloride
SYSTEMATIC NAME: (2Z)-4-(dimethylamino)-2-[[[[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]amino]methylamino]-oxidanyl-methylidene]-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrochloride
MOLECULAR FORMULA: C29H39Cl2N3O13
MOLECULAR WEIGHT: 708.53826
SMILES: CC1(C2CC3C(C(=O)/C(=C(\NCNC4C(C(C(OC4O)CO)O)O)/O)/C(=O)C3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O.Cl.Cl
Structure:

CAS RN: 77121-76-7
CAS Name: ammonia; (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: ammonia; (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: azane; (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: azane; (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H26N8O9S
MOLECULAR WEIGHT: 554.53364
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O.N.N
Structure:

CAS RN: 76900-87-3
CAS Name: 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxy-5-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Structure:

CAS RN: 76741-94-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C65H80N7NaO18PS3-5
MOLECULAR WEIGHT: 1397.525331
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C(=O)CO.[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+]
Structure:

CAS RN: 77287-89-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H31NO
MOLECULAR WEIGHT: 337.49834
SMILES: C[C@H]1CC(=C)C[C@@]23[C@@H]1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5
Structure:

CAS RN: 76748-86-2
CAS Name: 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(1-pyrrolidinylmethyl)-1-cyclohexa-2,5-dienone; phosphoric acid
OPENEYE Name: 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; phosphoric acid
IUPAC Name: 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; phosphoric acid
SYSTEMATIC NAME: 4-[(7-chloranyl-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; phosphoric acid
MOLECULAR FORMULA: C29H44ClN5O18P4
MOLECULAR WEIGHT: 910.030404
SMILES: COC1=CC=C2C(=C(C3=C(N2)C=C(C=C3)Cl)N=C4C=C(C(=O)C(=C4)CN5CCCC5)CN6CCCC6)N1.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Structure:

CAS RN: 76261-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CCOC1=C2C3=C(C[C@@H]4C5=CC=C([C@@H]([C@@]53CCN4C)O2)OC)C=C1
Structure:

CAS RN: 73946-62-0
CAS Name: cobalt(2+); (Z)-4-oxo-2-penten-2-olate; N,N,N',N'-tetramethylethane-1,2-diamine
OPENEYE Name: cobaltous; (Z)-4-oxopent-2-en-2-olate; N,N,N',N'-tetramethylethane-1,2-diamine
IUPAC Name: cobalt(2+); (Z)-4-oxopent-2-en-2-olate; N,N,N',N'-tetramethylethane-1,2-diamine
SYSTEMATIC NAME: cobalt(2+); (Z)-4-oxidanylidenepent-2-en-2-olate; N,N,N',N'-tetramethylethane-1,2-diamine
MOLECULAR FORMULA: C16H30CoN2O4
MOLECULAR WEIGHT: 373.3536
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].CN(CCN(C)C)C.[Co+2]
Structure:

CAS RN: 74646-20-1
CAS Name: 2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]-3-methylpentanoate; tin(2+)
OPENEYE Name: stannous 2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]-3-methyl-pentanoate
IUPAC Name: 2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]-3-methylpentanoate; tin(2+)
SYSTEMATIC NAME: 2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-methyl-pentanoate; tin(2+)
MOLECULAR FORMULA: C28H38N4O8Sn
MOLECULAR WEIGHT: 677.33332
SMILES: CCC(C(N/C=C/1\C(=O)C(=NC=C1CO)C)C(=O)[O-])C.CCC(C(N/C=C/1\C(=O)C(=NC=C1CO)C)C(=O)[O-])C.[Sn+2]
Structure:

CAS RN: 76343-90-3
CAS Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C28H24O15
MOLECULAR WEIGHT: 600.48116
SMILES: C1=CC(=CC=C1C2=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)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
Structure:

CAS RN: 76265-28-6
CAS Name: 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 3-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 3-[4-methoxy-3,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O7
MOLECULAR WEIGHT: 316.26228
SMILES: COC1=C(C=C(C=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Structure:

CAS RN: 76202-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC
Structure:

CAS RN: 75150-75-3
CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]hydrazo]-2-oxoacetic acid methyl ester
OPENEYE Name: methyl 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]hydrazino]-2-oxo-acetate
IUPAC Name: methyl 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]hydrazinyl]-2-oxoacetate
SYSTEMATIC NAME: methyl 2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]hydrazinyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H11ClF3N3O6
MOLECULAR WEIGHT: 433.72325
SMILES: COC(=O)C(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75150-62-8
CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]hydrazo]-2-oxoacetic acid ethyl ester
OPENEYE Name: ethyl 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]hydrazino]-2-oxo-acetate
IUPAC Name: ethyl 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]hydrazinyl]-2-oxoacetate
SYSTEMATIC NAME: ethyl 2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]hydrazinyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C17H13ClF3N3O6
MOLECULAR WEIGHT: 447.74983
SMILES: CCOC(=O)C(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75150-61-7
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methoxyacetohydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-methoxy-acetohydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methoxyacetohydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-methoxy-ethanehydrazide
MOLECULAR FORMULA: C16H13ClF3N3O5
MOLECULAR WEIGHT: 419.73973
SMILES: COCC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-52-1
CAS Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamic acid phenyl ester
OPENEYE Name: phenyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]carbamate
IUPAC Name: phenyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamate
SYSTEMATIC NAME: phenyl N-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]carbamate
MOLECULAR FORMULA: C20H13ClF3N3O5
MOLECULAR WEIGHT: 467.78253
SMILES: C1=CC=C(C=C1)OC(=O)NNC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-49-6
CAS Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamic acid butyl ester
OPENEYE Name: butyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]carbamate
IUPAC Name: butyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamate
SYSTEMATIC NAME: butyl N-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]carbamate
MOLECULAR FORMULA: C18H17ClF3N3O5
MOLECULAR WEIGHT: 447.79289
SMILES: CCCCOC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-48-5
CAS Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]carbamate
IUPAC Name: ethyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamate
SYSTEMATIC NAME: ethyl N-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]carbamate
MOLECULAR FORMULA: C16H13ClF3N3O5
MOLECULAR WEIGHT: 419.73973
SMILES: CCOC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-47-4
CAS Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamic acid methyl ester
OPENEYE Name: methyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]carbamate
IUPAC Name: methyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamate
SYSTEMATIC NAME: methyl N-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]carbamate
MOLECULAR FORMULA: C15H11ClF3N3O5
MOLECULAR WEIGHT: 405.71315
SMILES: COC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-42-9
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxopropanehydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxo-propanehydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxopropanehydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-propanehydrazide
MOLECULAR FORMULA: C16H11ClF3N3O5
MOLECULAR WEIGHT: 417.72385
SMILES: CC(=O)C(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-32-7
CAS Name: 2-chloro-N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetohydrazide
OPENEYE Name: 2-chloro-N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetohydrazide
IUPAC Name: 2-chloro-N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetohydrazide
SYSTEMATIC NAME: 2-chloranyl-N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanehydrazide
MOLECULAR FORMULA: C15H10Cl2F3N3O4
MOLECULAR WEIGHT: 424.15881
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])NNC(=O)CCl
Structure:

CAS RN: 75131-31-6
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-phenylacetohydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-phenyl-acetohydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-phenylacetohydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-phenyl-ethanehydrazide
MOLECULAR FORMULA: C21H15ClF3N3O4
MOLECULAR WEIGHT: 465.80971
SMILES: C1=CC=C(C=C1)CC(=O)NNC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-29-2
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]benzohydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]benzohydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]benzohydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]benzohydrazide
MOLECULAR FORMULA: C20H13ClF3N3O4
MOLECULAR WEIGHT: 451.78313
SMILES: C1=CC=C(C=C1)C(=O)NNC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

CAS RN: 75131-26-9
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2,2-dimethylpropanehydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2,2-dimethyl-propanehydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2,2-dimethylpropanehydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2,2-dimethyl-propanehydrazide
MOLECULAR FORMULA: C18H17ClF3N3O4
MOLECULAR WEIGHT: 431.79349
SMILES: CC(C)(C)C(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:

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