4-[(2-chloranylthiophen-3-yl)methylsulfanylmethyl]benzoic acid

Systemtic Name: 4-[(2-chloranylthiophen-3-yl)methylsulfanylmethyl]benzoic acid Openeye Name: 4-[(2-chloro-3-thienyl)methylsulfanylmethyl]benzoic acid CAS Name: 4-[[(2-chloro-3-thiophenyl)methylthio]methyl]benzoic acid IUPAC Name: 4-[(2-chlorothiophen-3-yl)methylsulfanylmethyl]benzoic acid Traditional Name: 4-[[(2-chloro-3-thienyl)methylthio]methyl]benzoic acid Formula: C13H11ClO2S2 MolecularWeight: 298.80824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=C(SC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCC2=C(SC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H11ClO2S2/c14-12-11(5-6-18-12)8-17-7-9-1-3-10(4-2-9)13(15)16/h1-6H,7-8H2,(H,15,16)