6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)quinoline-3-carboxylic acid Openeye Name: 6,7,8-trifluoro-1-[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7,8-trifluoro-1-(1-hydroxy-3-mercapto-1-oxopropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7,8-trifluoro-1-(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7,8-trifluoro-1-[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]-4-keto-quinoline-3-carboxylic acid Formula: C13H8F3NO5S MolecularWeight: 347.26653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)F)F)N(C=C(C2=O)C(=O)O)C(CS)C(=O)O

Isomeric SMILES

C1=C2C(=C(C(=C1F)F)F)N(C=C(C2=O)C(=O)O)C(CS)C(=O)O

InChI

InChI=1S/C13H8F3NO5S/c14-6-1-4-10(9(16)8(6)15)17(7(3-23)13(21)22)2-5(11(4)18)12(19)20/h1-2,7,23H,3H2,(H,19,20)(H,21,22)