methyl 2,3,4-trimethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2,3,4-trimethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2,3,4-trimethyl-5-methylsulfonyl-benzoate CAS Name: 2,3,4-trimethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2,3,4-trimethyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2,3,4-trimethyl-benzoic acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)S(=O)(=O)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)S(=O)(=O)C)C(=O)OC)C

InChI

InChI=1S/C12H16O4S/c1-7-8(2)10(12(13)16-4)6-11(9(7)3)17(5,14)15/h6H,1-5H3