(phenylmethyl) 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (phenylmethyl) 2-methyl-5-methylsulfonyl-benzoate Openeye Name: benzyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid benzyl ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-12-8-9-14(21(2,18)19)10-15(12)16(17)20-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3