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

Systemtic Name: 6,8-bis(chloranyl)-1-cyclopropyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-dichloro-1-cyclopropyl-2-(1-ethylhexyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-dichloro-1-cyclopropyl-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-dichloro-1-cyclopropyl-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-dichloro-1-cyclopropyl-2-(1-ethylhexyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H25Cl2NO3/c1-3-5-6-7-12(4-2)18-17(21(26)27)20(25)15-10-13(22)11-16(23)19(15)24(18)14-8-9-14/h10-12,14H,3-9H2,1-2H3,(H,26,27)