sodium (3Z)-3-(aminocarbonylhydrazinylidene)-4-oxidanylidene-naphthalene-1-sulfonate dihydrate

Systemtic Name: sodium (3Z)-3-(aminocarbonylhydrazinylidene)-4-oxidanylidene-naphthalene-1-sulfonate dihydrate Openeye Name: sodium (3Z)-3-(carbamoylhydrazono)-4-oxo-naphthalene-1-sulfonate dihydrate CAS Name: sodium (3Z)-3-(carbamoylhydrazinylidene)-4-oxo-1-naphthalenesulfonate dihydrate IUPAC Name: sodium (3Z)-3-(carbamoylhydrazinylidene)-4-oxonaphthalene-1-sulfonate dihydrate Traditional Name: sodium (3Z)-4-keto-3-semicarbazono-naphthalene-1-sulfonate dihydrate Formula: C11H12N3NaO7S MolecularWeight: 353.28365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N/NC(=O)N)/C2=O)S(=O)(=O)[O-].O.O.[Na+]

InChI

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