6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-2-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-2-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-2-(1-methyloctyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-2-nonan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-2-nonan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-2-(1-methyloctyl)quinoline-3-carboxylic acid Formula: C21H26F3NO3 MolecularWeight: 397.43125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CCF)F)F)C(=O)O

Isomeric SMILES

CCCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CCF)F)F)C(=O)O

InChI

InChI=1S/C21H26F3NO3/c1-3-4-5-6-7-8-13(2)18-17(21(27)28)20(26)15-11-14(23)12-16(24)19(15)25(18)10-9-22/h11-13H,3-10H2,1-2H3,(H,27,28)