3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]propionic acid Formula: C11H13ClO3S MolecularWeight: 260.73712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSCCC(=O)O

InChI

InChI=1S/C11H13ClO3S/c1-15-10-3-2-9(12)6-8(10)7-16-5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)