(1-oxidanyl-3-sulfanyl-propan-2-yl) 2-methylbenzenecarboperoxoate

Systemtic Name: (1-oxidanyl-3-sulfanyl-propan-2-yl) 2-methylbenzenecarboperoxoate Openeye Name: [1-(hydroxymethyl)-2-sulfanyl-ethyl] 2-methylbenzenecarboperoxoate CAS Name: 2-methylbenzenecarboperoxoic acid (1-hydroxy-3-mercaptopropan-2-yl) ester IUPAC Name: (1-hydroxy-3-sulfanylpropan-2-yl) 2-methylbenzenecarboperoxoate Traditional Name: 2-methylbenzenecarboperoxoic acid [2-hydroxy-1-(mercaptomethyl)ethyl] ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OOC(CO)CS

Isomeric SMILES

CC1=CC=CC=C1C(=O)OOC(CO)CS

InChI

InChI=1S/C11H14O4S/c1-8-4-2-3-5-10(8)11(13)15-14-9(6-12)7-16/h2-5,9,12,16H,6-7H2,1H3