3-[5,6,6-tris(fluoranyl)-8-methyl-hexadecan-8-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5,6,6-tris(fluoranyl)-8-methyl-hexadecan-8-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-methyl-1-(2,2,3-trifluoroheptyl)nonyl]-1H-pyridazin-6-one CAS Name: 3-(5,6,6-trifluoro-8-methylhexadecan-8-yl)-1H-pyridazin-6-one IUPAC Name: 3-(5,6,6-trifluoro-8-methylhexadecan-8-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-methyl-1-(2,2,3-trifluoroheptyl)nonyl]-1H-pyridazin-6-one Formula: C21H35F3N2O MolecularWeight: 388.51061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(CC(C(CCCC)F)(F)F)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCCCC(C)(CC(C(CCCC)F)(F)F)C1=NNC(=O)C=C1

InChI

InChI=1S/C21H35F3N2O/c1-4-6-8-9-10-11-15-20(3,18-13-14-19(27)26-25-18)16-21(23,24)17(22)12-7-5-2/h13-14,17H,4-12,15-16H2,1-3H3,(H,26,27)