sodium (6E)-4-azanyl-5-oxidanylidene-6-(phenylhydrazinylidene)-3-sulfo-naphthalene-1-sulfonate

Systemtic Name: sodium (6E)-4-azanyl-5-oxidanylidene-6-(phenylhydrazinylidene)-3-sulfo-naphthalene-1-sulfonate Openeye Name: sodium (6E)-4-amino-5-oxo-6-(phenylhydrazono)-3-sulfo-naphthalene-1-sulfonate CAS Name: sodium (6E)-4-amino-5-oxo-6-(phenylhydrazinylidene)-3-sulfo-1-naphthalenesulfonate IUPAC Name: sodium (6E)-4-amino-5-oxo-6-(phenylhydrazinylidene)-3-sulfonaphthalene-1-sulfonate Traditional Name: sodium (6E)-4-amino-5-keto-6-(phenylhydrazono)-3-sulfo-naphthalene-1-sulfonate Formula: C16H12N3NaO7S2 MolecularWeight: 445.40215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C=CC3=C(C2=O)C(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)O)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C=CC3=C(C2=O)C(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)O)N.[Na+]

InChI

InChI=1S/C16H13N3O7S2.Na/c17-15-13(28(24,25)26)8-12(27(21,22)23)10-6-7-11(16(20)14(10)15)19-18-9-4-2-1-3-5-9;/h1-8,18H,17H2,(H,21,22,23)(H,24,25,26);/q;+1/p-1/b19-11+;