3-cyclohexyl-2-(4-methylsulfonylphenyl)propanoic acid

Systemtic Name: 3-cyclohexyl-2-(4-methylsulfonylphenyl)propanoic acid Openeye Name: 3-cyclohexyl-2-(4-methylsulfonylphenyl)propanoic acid CAS Name: 3-cyclohexyl-2-(4-methylsulfonylphenyl)propanoic acid IUPAC Name: 3-cyclohexyl-2-(4-methylsulfonylphenyl)propanoic acid Traditional Name: 3-cyclohexyl-2-(4-mesylphenyl)propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c1-21(19,20)14-9-7-13(8-10-14)15(16(17)18)11-12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,17,18)