(2-methyl-4-sulfanyl-phenyl) ethaneperoxoate

Systemtic Name: (2-methyl-4-sulfanyl-phenyl) ethaneperoxoate Openeye Name: (2-methyl-4-sulfanyl-phenyl) peroxyacetate CAS Name: ethaneperoxoic acid (4-mercapto-2-methylphenyl) ester IUPAC Name: (2-methyl-4-sulfanylphenyl) ethaneperoxoate Traditional Name: peracetic acid (4-mercapto-2-methyl-phenyl) ester Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S)OOC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)S)OOC(=O)C

InChI

InChI=1S/C9H10O3S/c1-6-5-8(13)3-4-9(6)12-11-7(2)10/h3-5,13H,1-2H3