8-chloranyl-6-fluoranyl-1-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-1-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-(1-ethylhexyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-(1-ethylhexyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21ClFNO3 MolecularWeight: 353.815643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFNO3/c1-3-5-6-7-12(4-2)21-10-14(18(23)24)17(22)13-8-11(20)9-15(19)16(13)21/h8-10,12H,3-7H2,1-2H3,(H,23,24)