3-[7-methyl-6-pentyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[7-methyl-6-pentyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-methyl-1-(1-pentylhexyl)-6-(trifluoromethyl)decyl]-1H-pyridazin-6-one CAS Name: 3-[7-methyl-6-pentyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one IUPAC Name: 3-[7-methyl-6-pentyl-12-(trifluoromethyl)hexadecan-7-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-(1-amylhexyl)-1-methyl-6-(trifluoromethyl)decyl]-1H-pyridazin-6-one Formula: C27H47F3N2O MolecularWeight: 472.67009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47F3N2O/c1-5-8-11-16-22(17-12-9-6-2)26(4,24-19-20-25(33)32-31-24)21-14-13-18-23(15-10-7-3)27(28,29)30/h19-20,22-23H,5-18,21H2,1-4H3,(H,32,33)