2-cyano-4-methyl-benzenesulfonoperoxoic acid

Systemtic Name: 2-cyano-4-methyl-benzenesulfonoperoxoic acid Openeye Name: 2-cyano-4-methyl-benzenesulfonoperoxoic acid CAS Name: 2-cyano-4-methylbenzenesulfonoperoxoic acid IUPAC Name: 2-cyano-4-methylbenzenesulfonoperoxoic acid Traditional Name: 2-cyano-4-methyl-benzenesulfonoperoxoic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OO)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OO)C#N

InChI

InChI=1S/C8H7NO4S/c1-6-2-3-8(7(4-6)5-9)14(11,12)13-10/h2-4,10H,1H3