3-oxidanylidenebutan-2-yl 4-methylsulfonylbenzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-methylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (2-keto-1-methyl-propyl) ester Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5S/c1-8(13)9(2)17-12(14)10-4-6-11(7-5-10)18(3,15)16/h4-7,9H,1-3H3