(2,3,6-trimethylphenyl) 2-methylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-methylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C

InChI

InChI=1S/C17H18O4S/c1-11-9-10-12(2)16(13(11)3)21-17(18)14-7-5-6-8-15(14)22(4,19)20/h5-10H,1-4H3