2-[2-[(4-chloranyl-3-methoxy-phenyl)methylsulfanyl]-3-methyl-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[(4-chloranyl-3-methoxy-phenyl)methylsulfanyl]-3-methyl-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[(4-chloro-3-methoxy-phenyl)methylsulfanyl]-3-methyl-phenyl]-2-oxo-acetic acid CAS Name: 2-[2-[(4-chloro-3-methoxyphenyl)methylthio]-3-methylphenyl]-2-oxoacetic acid IUPAC Name: 2-[2-[(4-chloro-3-methoxyphenyl)methylsulfanyl]-3-methylphenyl]-2-oxoacetic acid Traditional Name: 2-[2-[(4-chloro-3-methoxy-benzyl)thio]-3-methyl-phenyl]-2-keto-acetic acid Formula: C17H15ClO4S MolecularWeight: 350.8166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC2=CC(=C(C=C2)Cl)OC)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1SCC2=CC(=C(C=C2)Cl)OC)C(=O)C(=O)O

InChI

InChI=1S/C17H15ClO4S/c1-10-4-3-5-12(15(19)17(20)21)16(10)23-9-11-6-7-13(18)14(8-11)22-2/h3-8H,9H2,1-2H3,(H,20,21)