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

Systemtic Name: 3-chloranyl-4-(3-methylsulfanyl-4-phenyl-phenyl)butanoic acid Openeye Name: 3-chloro-4-(3-methylsulfanyl-4-phenyl-phenyl)butanoic acid CAS Name: 3-chloro-4-[3-(methylthio)-4-phenylphenyl]butanoic acid IUPAC Name: 3-chloro-4-(3-methylsulfanyl-4-phenylphenyl)butanoic acid Traditional Name: 3-chloro-4-[3-(methylthio)-4-phenyl-phenyl]butyric acid Formula: C17H17ClO2S MolecularWeight: 320.83368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H17ClO2S/c1-21-16-10-12(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)