sodium (6E)-6-(aminocarbonylhydrazinylidene)-5-oxidanylidene-naphthalene-2-sulfonate dihydrate

Systemtic Name: sodium (6E)-6-(aminocarbonylhydrazinylidene)-5-oxidanylidene-naphthalene-2-sulfonate dihydrate Openeye Name: sodium (6E)-6-(carbamoylhydrazono)-5-oxo-naphthalene-2-sulfonate dihydrate CAS Name: sodium (6E)-6-(carbamoylhydrazinylidene)-5-oxo-2-naphthalenesulfonate dihydrate IUPAC Name: sodium (6E)-6-(carbamoylhydrazinylidene)-5-oxonaphthalene-2-sulfonate dihydrate Traditional Name: sodium (6E)-5-keto-6-semicarbazono-naphthalene-2-sulfonate dihydrate Formula: C11H12N3NaO7S MolecularWeight: 353.28365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=NNC(=O)N)C2=O)C=C1S(=O)(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1=CC2=C(C=C/C(=N\NC(=O)N)/C2=O)C=C1S(=O)(=O)[O-].O.O.[Na+]

InChI

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