sodium (5E)-5-(aminocarbonylhydrazinylidene)-1-methyl-6-oxidanylidene-2,3-dihydroindole-2-sulfonate trihydrate

Systemtic Name: sodium (5E)-5-(aminocarbonylhydrazinylidene)-1-methyl-6-oxidanylidene-2,3-dihydroindole-2-sulfonate trihydrate Openeye Name: sodium (5E)-5-(carbamoylhydrazono)-1-methyl-6-oxo-2,3-dihydroindole-2-sulfonate trihydrate CAS Name: sodium (5E)-5-(carbamoylhydrazinylidene)-1-methyl-6-oxo-2,3-dihydroindole-2-sulfonate trihydrate IUPAC Name: sodium (5E)-5-(carbamoylhydrazinylidene)-1-methyl-6-oxo-2,3-dihydroindole-2-sulfonate trihydrate Traditional Name: sodium (5E)-6-keto-1-methyl-5-semicarbazono-2,3-dihydroindole-2-sulfonate trihydrate Formula: C10H17N4NaO8S MolecularWeight: 376.31875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC2=CC(=NNC(=O)N)C(=O)C=C21)S(=O)(=O)[O-].O.O.O.[Na+]

Isomeric SMILES

CN1C(CC2=C/C(=N\NC(=O)N)/C(=O)C=C21)S(=O)(=O)[O-].O.O.O.[Na+]

InChI

InChI=1S/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/p-1/b12-6+;;;;