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

Systemtic Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate hydrate Openeye Name: sodium 2-thioxo-1,3-dihydrobenzimidazole-5-sulfonate hydrate CAS Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate hydrate IUPAC Name: sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate hydrate Traditional Name: sodium 2-thioxo-1,3-dihydrobenzimidazole-5-sulfonate hydrate Formula: C7H7N2NaO4S2 MolecularWeight: 270.26125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O3S2.Na.H2O/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);;1H2/q;+1;/p-1