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

Systemtic Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] butaneperoxoate Openeye Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ester IUPAC Name: [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[2,6-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]phenyl] ester Formula: C21H26O7S MolecularWeight: 422.49194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C2=C(C=C(C=C2C)OCCOS(=O)(=O)C)C

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C2=C(C=C(C=C2C)OCCOS(=O)(=O)C)C

InChI

InChI=1S/C21H26O7S/c1-5-6-20(22)28-27-18-9-7-17(8-10-18)21-15(2)13-19(14-16(21)3)25-11-12-26-29(4,23)24/h7-10,13-14H,5-6,11-12H2,1-4H3