sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate dihydrate

Systemtic Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate dihydrate Openeye Name: sodium 2-thioxo-1,3-dihydrobenzimidazole-5-sulfonate dihydrate CAS Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate dihydrate IUPAC Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate dihydrate Traditional Name: sodium 2-thioxo-1,3-dihydrobenzimidazole-5-sulfonate dihydrate Formula: C7H9N2NaO5S2 MolecularWeight: 288.27653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])NC(=S)N2.O.O.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])NC(=S)N2.O.O.[Na+]

InChI

InChI=1S/C7H6N2O3S2.Na.2H2O/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;;;/h1-3H,(H2,8,9,13)(H,10,11,12);;2*1H2/q;+1;;/p-1