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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC2=C(C=CO2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCC2=C(C=CO2)C(=O)O)Cl)F

InChI

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