methyl 3-ethanoyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-ethanoyl-5-methylsulfonyl-benzoate Openeye Name: methyl 3-acetyl-5-methylsulfonyl-benzoate CAS Name: 3-acetyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-acetyl-5-methylsulfonylbenzoate Traditional Name: 3-acetyl-5-mesyl-benzoic acid methyl ester Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O5S/c1-7(12)8-4-9(11(13)16-2)6-10(5-8)17(3,14)15/h4-6H,1-3H3