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

Systemtic Name: 2-chloranyl-4-(3-methylsulfanyl-4-phenyl-phenyl)butanoic acid Openeye Name: 2-chloro-4-(3-methylsulfanyl-4-phenyl-phenyl)butanoic acid CAS Name: 2-chloro-4-[3-(methylthio)-4-phenylphenyl]butanoic acid IUPAC Name: 2-chloro-4-(3-methylsulfanyl-4-phenylphenyl)butanoic acid Traditional Name: 2-chloro-4-[3-(methylthio)-4-phenyl-phenyl]butyric acid Formula: C17H17ClO2S MolecularWeight: 320.83368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO2S/c1-21-16-11-12(8-10-15(18)17(19)20)7-9-14(16)13-5-3-2-4-6-13/h2-7,9,11,15H,8,10H2,1H3,(H,19,20)