2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]propionic acid Formula: C11H13ClO3S MolecularWeight: 260.73712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

CC(C(=O)O)SCC1=C(C=CC(=C1)Cl)OC

InChI

InChI=1S/C11H13ClO3S/c1-7(11(13)14)16-6-8-5-9(12)3-4-10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)