3-[1,1,1-tris(fluoranyl)-10-methyl-icosan-10-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[1,1,1-tris(fluoranyl)-10-methyl-icosan-10-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-methyl-1-(9,9,9-trifluorononyl)undecyl]-1H-pyridazin-6-one CAS Name: 3-(1,1,1-trifluoro-10-methyleicosan-10-yl)-1H-pyridazin-6-one IUPAC Name: 3-(1,1,1-trifluoro-10-methylicosan-10-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-methyl-1-(9,9,9-trifluorononyl)undecyl]-1H-pyridazin-6-one Formula: C25H43F3N2O MolecularWeight: 444.61693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(CCCCCCCCC(F)(F)F)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCCCCCC(C)(CCCCCCCCC(F)(F)F)C1=NNC(=O)C=C1

InChI

InChI=1S/C25H43F3N2O/c1-3-4-5-6-7-8-11-14-19-24(2,22-17-18-23(31)30-29-22)20-15-12-9-10-13-16-21-25(26,27)28/h17-18H,3-16,19-21H2,1-2H3,(H,30,31)