3-(9-bromanyl-12-chloranyl-6,9-dipentyl-8-propyl-hexadecan-8-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(9-bromanyl-12-chloranyl-6,9-dipentyl-8-propyl-hexadecan-8-yl)-1H-pyridazin-6-one Openeye Name: 3-[2-bromo-5-chloro-2-pentyl-1-(2-pentylheptyl)-1-propyl-nonyl]-1H-pyridazin-6-one CAS Name: 3-(9-bromo-12-chloro-6,9-dipentyl-8-propylhexadecan-8-yl)-1H-pyridazin-6-one IUPAC Name: 3-(9-bromo-12-chloro-6,9-dipentyl-8-propylhexadecan-8-yl)-1H-pyridazin-6-one Traditional Name: 3-[2-amyl-1-(2-amylheptyl)-2-bromo-5-chloro-1-propyl-nonyl]-1H-pyridazin-6-one Formula: C33H60BrClN2O MolecularWeight: 616.1993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60BrClN2O/c1-6-11-15-18-28(19-16-12-7-2)27-32(24-10-5,30-21-22-31(38)37-36-30)33(34,25-17-13-8-3)26-23-29(35)20-14-9-4/h21-22,28-29H,6-20,23-27H2,1-5H3,(H,37,38)