3-chloranyl-5-[(2-methoxyphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-chloranyl-5-[(2-methoxyphenyl)methylsulfanyl]benzoic acid Openeye Name: 3-chloro-5-[(2-methoxyphenyl)methylsulfanyl]benzoic acid CAS Name: 3-chloro-5-[(2-methoxyphenyl)methylthio]benzoic acid IUPAC Name: 3-chloro-5-[(2-methoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 3-chloro-5-(o-anisylthio)benzoic acid Formula: C15H13ClO3S MolecularWeight: 308.77992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=CC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

COC1=CC=CC=C1CSC2=CC(=CC(=C2)C(=O)O)Cl

InChI

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