3-(5-chloranyl-2-methoxycarbonyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(5-chloranyl-2-methoxycarbonyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(5-chloro-2-methoxycarbonyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(5-chloro-2-methoxycarbonylphenyl)thio]propanoic acid IUPAC Name: 3-(5-chloro-2-methoxycarbonylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-carbomethoxy-5-chloro-phenyl)thio]propionic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)SCCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)SCCC(=O)O

InChI

InChI=1S/C11H11ClO4S/c1-16-11(15)8-3-2-7(12)6-9(8)17-5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)