3-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-oxo-furan-2,2-dicarboxylic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-4-hydroxy-5-keto-furan-2,2-dicarboxylic acid Formula: C13H9FO7S MolecularWeight: 328.269763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=O)OC2(C(=O)O)C(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=O)OC2(C(=O)O)C(=O)O)O)F

InChI

InChI=1S/C13H9FO7S/c14-7-3-1-6(2-4-7)5-22-9-8(15)10(16)21-13(9,11(17)18)12(19)20/h1-4,15H,5H2,(H,17,18)(H,19,20)