3-(4-cyclohexyl-3-methylsulfonyl-phenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)CCC(=O)O)C2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)CCC(=O)O)C2CCCCC2

InChI

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