(3Z)-7-benzamido-3-[[2-methoxy-5-methyl-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-7-benzamido-3-[[2-methoxy-5-methyl-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-7-benzamido-3-[[2-methoxy-5-methyl-4-(4-sulfophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-7-benzamido-3-[[2-methoxy-5-methyl-4-(4-sulfophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-7-benzamido-3-[[2-methoxy-5-methyl-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-7-benzamido-4-keto-3-[[2-methoxy-5-methyl-4-(4-sulfophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C31H25N5O9S2 MolecularWeight: 675.6883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C31H25N5O9S2/c1-18-14-26(27(45-2)17-25(18)34-33-21-8-11-23(12-9-21)46(39,40)41)35-36-29-28(47(42,43)44)16-20-15-22(10-13-24(20)30(29)37)32-31(38)19-6-4-3-5-7-19/h3-17,35H,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44)/b34-33?,36-29+