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

Systemtic Name: 1-ethenyl-6,8-bis(fluoranyl)-2-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-2-(1-methyloctyl)-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6,8-difluoro-2-nonan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6,8-difluoro-2-nonan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-2-(1-methyloctyl)-1-vinyl-quinoline-3-carboxylic acid Formula: C21H25F2NO3 MolecularWeight: 377.424906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2NO3/c1-4-6-7-8-9-10-13(3)18-17(21(26)27)20(25)15-11-14(22)12-16(23)19(15)24(18)5-2/h5,11-13H,2,4,6-10H2,1,3H3,(H,26,27)