methyl 3,4-dimethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3,4-dimethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 3,4-dimethyl-5-methylsulfonyl-benzoate CAS Name: 3,4-dimethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-5-methylsulfonylbenzoate Traditional Name: 3-mesyl-4,5-dimethyl-benzoic acid methyl ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-7-5-9(11(12)15-3)6-10(8(7)2)16(4,13)14/h5-6H,1-4H3