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

Systemtic Name: 1-ethenyl-6,8-bis(fluoranyl)-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylhexyl)-6,8-difluoro-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6,8-difluoro-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6,8-difluoro-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylhexyl)-6,8-difluoro-4-keto-1-vinyl-quinoline-3-carboxylic acid Formula: C20H23F2NO3 MolecularWeight: 363.398326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)F)F)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)F)F)C(=O)O

InChI

InChI=1S/C20H23F2NO3/c1-4-7-8-9-12(5-2)17-16(20(25)26)19(24)14-10-13(21)11-15(22)18(14)23(17)6-3/h6,10-12H,3-5,7-9H2,1-2H3,(H,25,26)