5-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(3-chloro-4-fluorophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-2-furoic acid Formula: C12H8ClFO3S MolecularWeight: 286.706523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC2=CC=C(O2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCC2=CC=C(O2)C(=O)O)Cl)F

InChI

InChI=1S/C12H8ClFO3S/c13-9-5-8(2-3-10(9)14)18-6-7-1-4-11(17-7)12(15)16/h1-5H,6H2,(H,15,16)