3-(2-chloranyl-3-sulfanyl-phenyl)propanoic acid

Systemtic Name: 3-(2-chloranyl-3-sulfanyl-phenyl)propanoic acid Openeye Name: 3-(2-chloro-3-sulfanyl-phenyl)propanoic acid CAS Name: 3-(2-chloro-3-mercaptophenyl)propanoic acid IUPAC Name: 3-(2-chloro-3-sulfanylphenyl)propanoic acid Traditional Name: 3-(2-chloro-3-mercapto-phenyl)propionic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO2S/c10-9-6(4-5-8(11)12)2-1-3-7(9)13/h1-3,13H,4-5H2,(H,11,12)