(3E)-3-[[4-[(4-methylphenyl)diazenyl]-7-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[4-[(4-methylphenyl)diazenyl]-7-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-anilino-4-oxo-3-[[4-(p-tolylazo)-7-sulfo-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-7-anilino-3-[[4-(4-methylphenyl)azo-7-sulfo-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-anilino-3-[[4-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-anilino-4-keto-3-[[4-(p-tolylazo)-7-sulfo-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid Formula: C33H25N5O7S2 MolecularWeight: 667.7109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C\4/C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C33H25N5O7S2/c1-20-7-9-23(10-8-20)35-36-29-15-16-30(28-19-25(46(40,41)42)12-14-27(28)29)37-38-32-31(47(43,44)45)18-21-17-24(11-13-26(21)33(32)39)34-22-5-3-2-4-6-22/h2-19,34,37H,1H3,(H,40,41,42)(H,43,44,45)/b36-35?,38-32-