2-[(5-bromanylthiophen-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-bromanylthiophen-3-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-bromo-3-thienyl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-bromo-3-thiophenyl)methylthio]benzoic acid IUPAC Name: 2-[(5-bromothiophen-3-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-bromo-3-thienyl)methylthio]benzoic acid Formula: C12H9BrO2S2 MolecularWeight: 329.23266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC(=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC(=C2)Br

InChI

InChI=1S/C12H9BrO2S2/c13-11-5-8(7-17-11)6-16-10-4-2-1-3-9(10)12(14)15/h1-5,7H,6H2,(H,14,15)