(phenylmethyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (phenylmethyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: benzyl 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid benzyl ester Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20O4S/c1-17-7-13-21(14-8-17)27(24,25)16-19-9-11-20(12-10-19)22(23)26-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3