methyl 4-ethanoyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-ethanoyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-acetyl-3-methylsulfonyl-benzoate CAS Name: 4-acetyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-acetyl-3-methylsulfonylbenzoate Traditional Name: 4-acetyl-3-mesyl-benzoic acid methyl ester Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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