[(1S)-2-oxidanylidenecyclohexyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H18O5S MolecularWeight: 310.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC2CCCCC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H]2CCCCC2=O

InChI

InChI=1S/C15H18O5S/c1-10-7-8-11(21(2,18)19)9-12(10)15(17)20-14-6-4-3-5-13(14)16/h7-9,14H,3-6H2,1-2H3/t14-/m0/s1