sodium (3Z)-6-azanyl-3-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (3Z)-6-azanyl-3-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (3Z)-6-amino-4-oxo-3-[[4-(p-tolylazo)-1-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z)-6-amino-3-[[4-(4-methylphenyl)azo-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-6-amino-3-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: sodium (3Z)-6-amino-4-keto-3-[[4-(p-tolylazo)-1-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C27H20N5NaO4S MolecularWeight: 533.53357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H21N5O4S.Na/c1-16-6-10-19(11-7-16)29-30-23-12-13-24(21-5-3-2-4-20(21)23)31-32-26-25(37(34,35)36)14-17-8-9-18(28)15-22(17)27(26)33;/h2-15,31H,28H2,1H3,(H,34,35,36);/q;+1/p-1/b30-29?,32-26+;