4-[(5-chloranylthiophen-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(5-chloro-2-thienyl)methylsulfanyl]benzoic acid CAS Name: 4-[(5-chloro-2-thiophenyl)methylthio]benzoic acid IUPAC Name: 4-[(5-chlorothiophen-2-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(5-chloro-2-thienyl)methylthio]benzoic acid Formula: C12H9ClO2S2 MolecularWeight: 284.78166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CC=C(S2)Cl

InChI

InChI=1S/C12H9ClO2S2/c13-11-6-5-10(17-11)7-16-9-3-1-8(2-4-9)12(14)15/h1-6H,7H2,(H,14,15)