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

Systemtic Name: 3-(dioxidanylmethyl)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 3-(hydroperoxymethyl)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: 3-(hydroperoxymethyl)-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid IUPAC Name: 3-(hydroperoxymethyl)-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid Traditional Name: 3-(hydroperoxymethyl)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O4S/c14-8(15)6-1-5(4-17-16)2-7(3-6)13-9(18)10-11-12-13/h1-3,16H,4H2,(H,14,15)(H,10,12,18)