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

Systemtic Name: 3-chloranyl-4-(4-phenyl-3-sulfanyl-phenyl)butanoic acid Openeye Name: 3-chloro-4-(4-phenyl-3-sulfanyl-phenyl)butanoic acid CAS Name: 3-chloro-4-(3-mercapto-4-phenylphenyl)butanoic acid IUPAC Name: 3-chloro-4-(4-phenyl-3-sulfanylphenyl)butanoic acid Traditional Name: 3-chloro-4-(3-mercapto-4-phenyl-phenyl)butyric acid Formula: C16H15ClO2S MolecularWeight: 306.8071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClO2S/c17-13(10-16(18)19)8-11-6-7-14(15(20)9-11)12-4-2-1-3-5-12/h1-7,9,13,20H,8,10H2,(H,18,19)