(4-methylphenyl) 3-(phenylsulfonylmethyl)benzoate

Systemtic Name: (4-methylphenyl) 3-(phenylsulfonylmethyl)benzoate Openeye Name: p-tolyl 3-(benzenesulfonylmethyl)benzoate CAS Name: 3-(benzenesulfonylmethyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(benzenesulfonylmethyl)benzoate Traditional Name: 3-(besylmethyl)benzoic acid p-tolyl ester Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O4S/c1-16-10-12-19(13-11-16)25-21(22)18-7-5-6-17(14-18)15-26(23,24)20-8-3-2-4-9-20/h2-14H,15H2,1H3