2-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-5-chloro-phenyl)acetic acid CAS Name: 2-[5-chloro-2-(phenylmethylthio)phenyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-5-chlorophenyl)acetic acid Traditional Name: 2-[2-(benzylthio)-5-chloro-phenyl]acetic acid Formula: C15H13ClO2S MolecularWeight: 292.78052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO2S/c16-13-6-7-14(12(8-13)9-15(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)