[4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ethaneperoxoate

Systemtic Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ethaneperoxoate Openeye Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ester IUPAC Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ester Formula: C19H22O7S MolecularWeight: 394.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=C(C=C2)OOC(=O)C)C)OCCOS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=C(C=C2)OOC(=O)C)C)OCCOS(=O)(=O)C

InChI

InChI=1S/C19H22O7S/c1-13-11-18(23-9-10-24-27(4,21)22)12-14(2)19(13)16-5-7-17(8-6-16)26-25-15(3)20/h5-8,11-12H,9-10H2,1-4H3