(4E)-4-[[2-(3,4-dimethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[2-(3,4-dimethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[2-(3,4-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[2-(3,4-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[2-(3,4-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[1-(3,4-dimethylphenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)NN=C4C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)N/N=C/4\C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O)C

InChI

InChI=1S/C27H22N4O5S/c1-16-12-13-19(14-17(16)2)31-27(33)26(24(30-31)18-8-4-3-5-9-18)29-28-25-21-11-7-6-10-20(21)23(15-22(25)32)37(34,35)36/h3-15,29-30H,1-2H3,(H,34,35,36)/b28-25+