3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)-5-sulfo-benzoic acid

Systemtic Name: 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)-5-sulfo-benzoic acid Openeye Name: 3-sulfo-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)-5-sulfobenzoic acid IUPAC Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)-5-sulfobenzoic acid Traditional Name: 3-sulfo-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C8H6N4O5S2 MolecularWeight: 302.28704

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N2C(=S)N=NN2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N2C(=S)N=NN2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H6N4O5S2/c13-7(14)4-1-5(12-8(18)9-10-11-12)3-6(2-4)19(15,16)17/h1-3H,(H,13,14)(H,9,11,18)(H,15,16,17)