3-[[4-[(4-methylphenyl)diazenyl]-6-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid; sodium

Systemtic Name: 3-[[4-[(4-methylphenyl)diazenyl]-6-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid; sodium Openeye Name: 7-anilino-4-oxo-3-[[4-(p-tolylazo)-6-sulfo-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid; sodium CAS Name: 7-anilino-3-[[4-(4-methylphenyl)azo-6-sulfo-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid; sodium IUPAC Name: 7-anilino-3-[[4-[(4-methylphenyl)diazenyl]-6-sulfonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid; sodium Traditional Name: 7-anilino-4-keto-3-[[4-(p-tolylazo)-6-sulfo-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid; sodium Formula: C33H25N5NaO7S2 MolecularWeight: 690.70067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C3C=C(C=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.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C3C=C(C=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.[Na]

InChI

InChI=1S/C33H25N5O7S2.Na/c1-20-7-9-23(10-8-20)35-36-30-16-15-29(27-14-12-25(19-28(27)30)46(40,41)42)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);