sodium (6Z)-6-(carbamothioylhydrazinylidene)-5-oxidanylidene-naphthalene-1-sulfonate hydrate

Systemtic Name: sodium (6Z)-6-(carbamothioylhydrazinylidene)-5-oxidanylidene-naphthalene-1-sulfonate hydrate Openeye Name: sodium (6Z)-6-(carbamothioylhydrazono)-5-oxo-naphthalene-1-sulfonate hydrate CAS Name: sodium (6Z)-6-(carbamothioylhydrazinylidene)-5-oxo-1-naphthalenesulfonate hydrate IUPAC Name: sodium (6Z)-6-(carbamothioylhydrazinylidene)-5-oxonaphthalene-1-sulfonate hydrate Traditional Name: sodium (6Z)-5-keto-6-(thiocarbamoylhydrazono)naphthalene-1-sulfonate hydrate Formula: C11H10N3NaO5S2 MolecularWeight: 351.33397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4S2.Na.H2O/c12-11(19)14-13-8-5-4-6-7(10(8)15)2-1-3-9(6)20(16,17)18;;/h1-5H,(H3,12,14,19)(H,16,17,18);;1H2/q;+1;/p-1/b13-8-;;