2-[2-chloranyl-5-(3,5-dimethoxyphenyl)sulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-chloranyl-5-(3,5-dimethoxyphenyl)sulfanyl-phenyl]ethanoic acid Openeye Name: 2-[2-chloro-5-(3,5-dimethoxyphenyl)sulfanyl-phenyl]acetic acid CAS Name: 2-[2-chloro-5-[(3,5-dimethoxyphenyl)thio]phenyl]acetic acid IUPAC Name: 2-[2-chloro-5-(3,5-dimethoxyphenyl)sulfanylphenyl]acetic acid Traditional Name: 2-[2-chloro-5-[(3,5-dimethoxyphenyl)thio]phenyl]acetic acid Formula: C16H15ClO4S MolecularWeight: 338.8059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)SC2=CC(=C(C=C2)Cl)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)SC2=CC(=C(C=C2)Cl)CC(=O)O)OC

InChI

InChI=1S/C16H15ClO4S/c1-20-11-7-12(21-2)9-14(8-11)22-13-3-4-15(17)10(5-13)6-16(18)19/h3-5,7-9H,6H2,1-2H3,(H,18,19)