3-[9,9-bis(fluoranyl)-2,7,11-trimethyl-tridecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[9,9-bis(fluoranyl)-2,7,11-trimethyl-tridecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[3,3-difluoro-1,5-dimethyl-1-(5-methylhexyl)heptyl]-1H-pyridazin-6-one CAS Name: 3-(9,9-difluoro-2,7,11-trimethyltridecan-7-yl)-1H-pyridazin-6-one IUPAC Name: 3-(9,9-difluoro-2,7,11-trimethyltridecan-7-yl)-1H-pyridazin-6-one Traditional Name: 3-[3,3-difluoro-1,5-dimethyl-1-(5-methylhexyl)heptyl]-1H-pyridazin-6-one Formula: C20H34F2N2O MolecularWeight: 356.493566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34F2N2O/c1-6-16(4)13-20(21,22)14-19(5,12-8-7-9-15(2)3)17-10-11-18(25)24-23-17/h10-11,15-16H,6-9,12-14H2,1-5H3,(H,24,25)