sodium (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-(phenylhydrazono)-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-(phenylhydrazinylidene)-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium (6Z)-4-amino-5-keto-3-(4-nitrophenyl)azo-6-(phenylhydrazono)-7-sulfo-naphthalene-2-sulfonate Formula: C22H15N6NaO9S2 MolecularWeight: 594.50907

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H16N6O9S2.Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);/q;+1/p-1/b26-25?,27-21+;