3-(dioxidanylmethyl)-5-sulfanyl-benzoic acid

Systemtic Name: 3-(dioxidanylmethyl)-5-sulfanyl-benzoic acid Openeye Name: 3-(hydroperoxymethyl)-5-sulfanyl-benzoic acid CAS Name: 3-(hydroperoxymethyl)-5-mercaptobenzoic acid IUPAC Name: 3-(hydroperoxymethyl)-5-sulfanylbenzoic acid Traditional Name: 3-(hydroperoxymethyl)-5-mercapto-benzoic acid Formula: C8H8O4S MolecularWeight: 200.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S)C(=O)O)COO

Isomeric SMILES

C1=C(C=C(C=C1S)C(=O)O)COO

InChI

InChI=1S/C8H8O4S/c9-8(10)6-1-5(4-12-11)2-7(13)3-6/h1-3,11,13H,4H2,(H,9,10)