methyl 2-ethyl-4-methyl-3-methylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C)C(=O)OC

InChI

InChI=1S/C12H16O4S/c1-5-9-10(12(13)16-3)7-6-8(2)11(9)17(4,14)15/h6-7H,5H2,1-4H3