4-(dioxidanylsulfanyl)-2-methyl-benzoic acid

Systemtic Name: 4-(dioxidanylsulfanyl)-2-methyl-benzoic acid Openeye Name: 4-hydroperoxysulfanyl-2-methyl-benzoic acid CAS Name: 4-(hydroperoxythio)-2-methylbenzoic acid IUPAC Name: 4-hydroperoxysulfanyl-2-methylbenzoic acid Traditional Name: 4-(hydroperoxythio)-2-methyl-benzoic acid Formula: C8H8O4S MolecularWeight: 200.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SOO)C(=O)O

InChI

InChI=1S/C8H8O4S/c1-5-4-6(13-12-11)2-3-7(5)8(9)10/h2-4,11H,1H3,(H,9,10)