methyl 2-methyl-5-methylsulfonyl-4-phenyl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-phenyl-benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-phenyl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-phenylbenzoate Traditional Name: 5-mesyl-2-methyl-4-phenyl-benzoic acid methyl ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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