3-[5-butyl-1,1,1,2,2-pentakis(fluoranyl)-9-methyl-icosan-9-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-butyl-1,1,1,2,2-pentakis(fluoranyl)-9-methyl-icosan-9-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-(4-butyl-7,7,8,8,8-pentafluoro-octyl)-1-methyl-dodecyl]-1H-pyridazin-6-one CAS Name: 3-(5-butyl-1,1,1,2,2-pentafluoro-9-methyleicosan-9-yl)-1H-pyridazin-6-one IUPAC Name: 3-(5-butyl-1,1,1,2,2-pentafluoro-9-methylicosan-9-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(4-butyl-7,7,8,8,8-pentafluoro-octyl)-1-methyl-dodecyl]-1H-pyridazin-6-one Formula: C29H49F5N2O MolecularWeight: 536.704176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)(CCCC(CCCC)CCC(C(F)(F)F)(F)F)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCCCCCCC(C)(CCCC(CCCC)CCC(C(F)(F)F)(F)F)C1=NNC(=O)C=C1

InChI

InChI=1S/C29H49F5N2O/c1-4-6-8-9-10-11-12-13-14-21-27(3,25-18-19-26(37)36-35-25)22-15-17-24(16-7-5-2)20-23-28(30,31)29(32,33)34/h18-19,24H,4-17,20-23H2,1-3H3,(H,36,37)