sodium 3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)benzenesulfonate

Systemtic Name: sodium 3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)benzenesulfonate Openeye Name: sodium 3-(5-sulfanyltetrazol-5-yl)benzenesulfonate CAS Name: sodium 3-(5-mercapto-5-tetrazolyl)benzenesulfonate IUPAC Name: sodium 3-(5-sulfanyltetrazol-5-yl)benzenesulfonate Traditional Name: sodium 3-(5-mercaptotetrazol-5-yl)besylate Formula: C7H5N4NaO3S2 MolecularWeight: 280.25937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2(N=NN=N2)S.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2(N=NN=N2)S.[Na+]

InChI

InChI=1S/C7H6N4O3S2.Na/c12-16(13,14)6-3-1-2-5(4-6)7(15)8-10-11-9-7;/h1-4,15H,(H,12,13,14);/q;+1/p-1