sodium (4E)-4-(carbamothioylhydrazinylidene)-3-oxidanylidene-naphthalene-1-sulfonate hydrate

Systemtic Name: sodium (4E)-4-(carbamothioylhydrazinylidene)-3-oxidanylidene-naphthalene-1-sulfonate hydrate Openeye Name: sodium (4E)-4-(carbamothioylhydrazono)-3-oxo-naphthalene-1-sulfonate hydrate CAS Name: sodium (4E)-4-(carbamothioylhydrazinylidene)-3-oxo-1-naphthalenesulfonate hydrate IUPAC Name: sodium (4E)-4-(carbamothioylhydrazinylidene)-3-oxonaphthalene-1-sulfonate hydrate Traditional Name: sodium (4E)-3-keto-4-(thiocarbamoylhydrazono)naphthalene-1-sulfonate hydrate Formula: C11H10N3NaO5S2 MolecularWeight: 351.33397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C\2C(=C1)C(=CC(=O)/C2=N/NC(=S)N)S(=O)(=O)[O-].O.[Na+]

InChI

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