sodium (7Z)-7-(carbamothioylhydrazinylidene)-8-oxidanylidene-naphthalene-2-sulfonate hydrate

Systemtic Name: sodium (7Z)-7-(carbamothioylhydrazinylidene)-8-oxidanylidene-naphthalene-2-sulfonate hydrate Openeye Name: sodium (7Z)-7-(carbamothioylhydrazono)-8-oxo-naphthalene-2-sulfonate hydrate CAS Name: sodium (7Z)-7-(carbamothioylhydrazinylidene)-8-oxo-2-naphthalenesulfonate hydrate IUPAC Name: sodium (7Z)-7-(carbamothioylhydrazinylidene)-8-oxonaphthalene-2-sulfonate hydrate Traditional Name: sodium (7Z)-8-keto-7-(thiocarbamoylhydrazono)naphthalene-2-sulfonate hydrate Formula: C11H10N3NaO5S2 MolecularWeight: 351.33397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=NNC(=S)N)C2=O)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC(=CC2=C1C=C/C(=N/NC(=S)N)/C2=O)S(=O)(=O)[O-].O.[Na+]

InChI

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