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

Systemtic Name: 6,8-bis(fluoranyl)-1-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-ethylhexyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-ethylhexyl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2NO3 MolecularWeight: 337.361046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C=C(C(=O)C2=CC(=CC(=C21)F)F)C(=O)O

Isomeric SMILES

CCCCCC(CC)N1C=C(C(=O)C2=CC(=CC(=C21)F)F)C(=O)O

InChI

InChI=1S/C18H21F2NO3/c1-3-5-6-7-12(4-2)21-10-14(18(23)24)17(22)13-8-11(19)9-15(20)16(13)21/h8-10,12H,3-7H2,1-2H3,(H,23,24)