4-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(5-chloro-2-methoxyphenyl)methylthio]benzoic acid IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(5-chloro-2-methoxy-benzyl)thio]benzoic acid Formula: C15H13ClO3S MolecularWeight: 308.77992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13ClO3S/c1-19-14-7-4-12(16)8-11(14)9-20-13-5-2-10(3-6-13)15(17)18/h2-8H,9H2,1H3,(H,17,18)