3-chloranyl-4-(3-methylsulfonyl-4-phenyl-phenyl)butanoic acid

Systemtic Name: 3-chloranyl-4-(3-methylsulfonyl-4-phenyl-phenyl)butanoic acid Openeye Name: 3-chloro-4-(3-methylsulfonyl-4-phenyl-phenyl)butanoic acid CAS Name: 3-chloro-4-(3-methylsulfonyl-4-phenylphenyl)butanoic acid IUPAC Name: 3-chloro-4-(3-methylsulfonyl-4-phenylphenyl)butanoic acid Traditional Name: 3-chloro-4-(3-mesyl-4-phenyl-phenyl)butyric acid Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H17ClO4S/c1-23(21,22)16-10-12(9-14(18)11-17(19)20)7-8-15(16)13-5-3-2-4-6-13/h2-8,10,14H,9,11H2,1H3,(H,19,20)