3-[14,14,14-tris(fluoranyl)-7-methyl-6,8-dipentyl-tetradecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[14,14,14-tris(fluoranyl)-7-methyl-6,8-dipentyl-tetradecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[8,8,8-trifluoro-1-methyl-2-pentyl-1-(1-pentylhexyl)octyl]-1H-pyridazin-6-one CAS Name: 3-(14,14,14-trifluoro-7-methyl-6,8-dipentyltetradecan-7-yl)-1H-pyridazin-6-one IUPAC Name: 3-(14,14,14-trifluoro-7-methyl-6,8-dipentyltetradecan-7-yl)-1H-pyridazin-6-one Traditional Name: 3-[2-amyl-1-(1-amylhexyl)-8,8,8-trifluoro-1-methyl-octyl]-1H-pyridazin-6-one Formula: C29H51F3N2O MolecularWeight: 500.72325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)C(C)(C1=NNC(=O)C=C1)C(CCCCC)CCCCCC(F)(F)F

Isomeric SMILES

CCCCCC(CCCCC)C(C)(C1=NNC(=O)C=C1)C(CCCCC)CCCCCC(F)(F)F

InChI

InChI=1S/C29H51F3N2O/c1-5-8-12-17-24(18-13-9-6-2)28(4,26-21-22-27(35)34-33-26)25(19-14-10-7-3)20-15-11-16-23-29(30,31)32/h21-22,24-25H,5-20,23H2,1-4H3,(H,34,35)