3-oxidanylidenebutan-2-yl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5S/c1-8-5-6-11(19(4,16)17)7-12(8)13(15)18-10(3)9(2)14/h5-7,10H,1-4H3