[(1S)-2-oxidanylidenecyclohexyl] 4-methylsulfonylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methylsulfonylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCC2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)O[C@H]2CCCCC2=O

InChI

InChI=1S/C14H16O5S/c1-20(17,18)11-8-6-10(7-9-11)14(16)19-13-5-3-2-4-12(13)15/h6-9,13H,2-5H2,1H3/t13-/m0/s1