(3,4-dimethylphenyl) 3-methylsulfonylbenzoate

Systemtic Name: (3,4-dimethylphenyl) 3-methylsulfonylbenzoate Openeye Name: (3,4-dimethylphenyl) 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (3,4-dimethylphenyl) ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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