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

Systemtic Name: (2,6-dimethylphenyl) 4-methyl-3-methylsulfonyl-benzoate Openeye Name: (2,6-dimethylphenyl) 4-methyl-3-methylsulfonyl-benzoate CAS Name: 4-methyl-3-methylsulfonylbenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-methyl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-methyl-benzoic acid (2,6-dimethylphenyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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