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

Systemtic Name: 3-(3-bromanyl-4-cyclohexyl-5-methylsulfonyl-phenyl)-2-chloranyl-propanoic acid Openeye Name: 3-(3-bromo-4-cyclohexyl-5-methylsulfonyl-phenyl)-2-chloro-propanoic acid CAS Name: 3-(3-bromo-4-cyclohexyl-5-methylsulfonylphenyl)-2-chloropropanoic acid IUPAC Name: 3-(3-bromo-4-cyclohexyl-5-methylsulfonylphenyl)-2-chloropropanoic acid Traditional Name: 3-(3-bromo-4-cyclohexyl-5-mesyl-phenyl)-2-chloro-propionic acid Formula: C16H20BrClO4S MolecularWeight: 423.7496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrClO4S/c1-23(21,22)14-9-10(8-13(18)16(19)20)7-12(17)15(14)11-5-3-2-4-6-11/h7,9,11,13H,2-6,8H2,1H3,(H,19,20)