[2-(3-phenyloxiran-2-yl)carbonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-phenyloxiran-2-yl)carbonylphenyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-phenyloxirane-2-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[oxo-(3-phenyl-2-oxiranyl)methyl]phenyl] ester IUPAC Name: [2-(3-phenyloxirane-2-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-phenyloxirane-2-carbonyl)phenyl] ester Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H18O5S/c1-15-11-13-17(14-12-15)28(24,25)27-19-10-6-5-9-18(19)20(23)22-21(26-22)16-7-3-2-4-8-16/h2-14,21-22H,1H3