2-chloranyl-3-(4-cyclohexyl-3-iodanyl-5-methylsulfonyl-phenyl)propanoic acid

Systemtic Name: 2-chloranyl-3-(4-cyclohexyl-3-iodanyl-5-methylsulfonyl-phenyl)propanoic acid Openeye Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonyl-phenyl)propanoic acid CAS Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonylphenyl)propanoic acid IUPAC Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonylphenyl)propanoic acid Traditional Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-mesyl-phenyl)propionic acid Formula: C16H20ClIO4S MolecularWeight: 470.75007

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC(=C1)CC(C(=O)O)Cl)I)C2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC(=C1)CC(C(=O)O)Cl)I)C2CCCCC2

InChI

InChI=1S/C16H20ClIO4S/c1-23(21,22)14-9-10(7-12(17)16(19)20)8-13(18)15(14)11-5-3-2-4-6-11/h8-9,11-12H,2-7H2,1H3,(H,19,20)