4-chloranyl-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-4-chloro-benzoic acid CAS Name: 4-chloro-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-4-chlorobenzoic acid Traditional Name: 2-(benzylthio)-4-chloro-benzoic acid Formula: C14H11ClO2S MolecularWeight: 278.75394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClO2S/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)