methyl 3-methylsulfonyl-4-(phenylmethyl)benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(phenylmethyl)benzoate Openeye Name: methyl 4-benzyl-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-(phenylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-methylsulfonylbenzoate Traditional Name: 4-benzyl-3-mesyl-benzoic acid methyl ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CC2=CC=CC=C2)S(=O)(=O)C

InChI

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