3-[5,7-dipropyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5,7-dipropyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-propyl-1-(2-propylhexyl)-6-(trifluoromethyl)decyl]-1H-pyridazin-6-one CAS Name: 3-[5,7-dipropyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one IUPAC Name: 3-[5,7-dipropyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-propyl-1-(2-propylhexyl)-6-(trifluoromethyl)decyl]-1H-pyridazin-6-one Formula: C27H47F3N2O MolecularWeight: 472.67009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CC(CCC)(CCCCC(CCCC)C(F)(F)F)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCC(CCC)CC(CCC)(CCCCC(CCCC)C(F)(F)F)C1=NNC(=O)C=C1

InChI

InChI=1S/C27H47F3N2O/c1-5-9-14-22(13-7-3)21-26(19-8-4,24-17-18-25(33)32-31-24)20-12-11-16-23(15-10-6-2)27(28,29)30/h17-18,22-23H,5-16,19-21H2,1-4H3,(H,32,33)