3-[5-butyl-13-(2-fluoranylethyl)-7-methyl-hexadecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-butyl-13-(2-fluoranylethyl)-7-methyl-hexadecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-(2-butylhexyl)-7-(2-fluoroethyl)-1-methyl-decyl]-1H-pyridazin-6-one CAS Name: 3-[5-butyl-13-(2-fluoroethyl)-7-methylhexadecan-7-yl]-1H-pyridazin-6-one IUPAC Name: 3-[5-butyl-13-(2-fluoroethyl)-7-methylhexadecan-7-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-(2-butylhexyl)-7-(2-fluoroethyl)-1-methyl-decyl]-1H-pyridazin-6-one Formula: C27H49FN2O MolecularWeight: 436.689163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CC(C)(CCCCCC(CCC)CCF)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCC(CCCC)CC(C)(CCCCCC(CCC)CCF)C1=NNC(=O)C=C1

InChI

InChI=1S/C27H49FN2O/c1-5-8-14-24(15-9-6-2)22-27(4,25-17-18-26(31)30-29-25)20-12-10-11-16-23(13-7-3)19-21-28/h17-18,23-24H,5-16,19-22H2,1-4H3,(H,30,31)