(2,3,6-trimethylphenyl) 4-methyl-3-methylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-methyl-3-methylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-methyl-3-methylsulfonyl-benzoate CAS Name: 4-methyl-3-methylsulfonylbenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-methyl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-methyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-11-6-7-13(3)17(14(11)4)22-18(19)15-9-8-12(2)16(10-15)23(5,20)21/h6-10H,1-5H3