4-(2-cyclohexylethanoyl)-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(2-cyclohexylethanoyl)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(2-cyclohexylacetyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(2-cyclohexyl-1-oxoethyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(2-cyclohexylacetyl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(2-cyclohexylacetyl)-3-mesyl-benzoic acid Formula: C16H20O5S MolecularWeight: 324.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)CC2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)CC2CCCCC2

InChI

InChI=1S/C16H20O5S/c1-22(20,21)15-10-12(16(18)19)7-8-13(15)14(17)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,18,19)