3-[(4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(4-fluorophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(4-fluorophenyl)thio]methyl]-2-furoic acid Formula: C12H9FO3S MolecularWeight: 252.261463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C12H9FO3S/c13-9-1-3-10(4-2-9)17-7-8-5-6-16-11(8)12(14)15/h1-6H,7H2,(H,14,15)