2-oxidanylidenepropyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: acetonyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid acetonyl ester Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5S/c1-8-4-5-10(18(3,15)16)6-11(8)12(14)17-7-9(2)13/h4-6H,7H2,1-3H3