3-[5,6,6-tris(fluoranyl)-7,12-dipentyl-8-propyl-octadecan-8-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5,6,6-tris(fluoranyl)-7,12-dipentyl-8-propyl-octadecan-8-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-pentyl-1-propyl-1-(2,2,3-trifluoro-1-pentyl-heptyl)undecyl]-1H-pyridazin-6-one CAS Name: 3-(5,6,6-trifluoro-7,12-dipentyl-8-propyloctadecan-8-yl)-1H-pyridazin-6-one IUPAC Name: 3-(5,6,6-trifluoro-7,12-dipentyl-8-propyloctadecan-8-yl)-1H-pyridazin-6-one Traditional Name: 3-[5-amyl-1-(1-amyl-2,2,3-trifluoro-heptyl)-1-propyl-undecyl]-1H-pyridazin-6-one Formula: C35H63F3N2O MolecularWeight: 584.88273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H63F3N2O/c1-6-11-15-18-21-29(20-16-12-7-2)22-19-28-34(27-10-5,32-25-26-33(41)40-39-32)30(23-17-13-8-3)35(37,38)31(36)24-14-9-4/h25-26,29-31H,6-24,27-28H2,1-5H3,(H,40,41)