methyl 4-(4-methylphenyl)-3-methylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S/c1-11-4-6-12(7-5-11)14-9-8-13(16(17)20-2)10-15(14)21(3,18)19/h4-10H,1-3H3