sodium (7E)-7-(aminocarbonylhydrazinylidene)-8-oxidanylidene-naphthalene-1-sulfonate dihydrate

Systemtic Name: sodium (7E)-7-(aminocarbonylhydrazinylidene)-8-oxidanylidene-naphthalene-1-sulfonate dihydrate Openeye Name: sodium (7E)-7-(carbamoylhydrazono)-8-oxo-naphthalene-1-sulfonate dihydrate CAS Name: sodium (7E)-7-(carbamoylhydrazinylidene)-8-oxo-1-naphthalenesulfonate dihydrate IUPAC Name: sodium (7E)-7-(carbamoylhydrazinylidene)-8-oxonaphthalene-1-sulfonate dihydrate Traditional Name: sodium (7E)-8-keto-7-semicarbazono-naphthalene-1-sulfonate dihydrate Formula: C11H12N3NaO7S MolecularWeight: 353.28365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C(=NNC(=O)N)C=C2.O.O.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)/C(=N/NC(=O)N)/C=C2.O.O.[Na+]

InChI

InChI=1S/C11H9N3O5S.Na.2H2O/c12-11(16)14-13-7-5-4-6-2-1-3-8(20(17,18)19)9(6)10(7)15;;;/h1-5H,(H3,12,14,16)(H,17,18,19);;2*1H2/q;+1;;/p-1/b13-7+;;;