3-(9-butyl-3-chloranyl-7-ethyl-4-propyl-tridecan-7-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(9-butyl-3-chloranyl-7-ethyl-4-propyl-tridecan-7-yl)-1H-pyridazin-6-one Openeye Name: 3-[1-(2-butylhexyl)-5-chloro-1-ethyl-4-propyl-heptyl]-1H-pyridazin-6-one CAS Name: 3-(9-butyl-3-chloro-7-ethyl-4-propyltridecan-7-yl)-1H-pyridazin-6-one IUPAC Name: 3-(9-butyl-3-chloro-7-ethyl-4-propyltridecan-7-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(2-butylhexyl)-5-chloro-1-ethyl-4-propyl-heptyl]-1H-pyridazin-6-one Formula: C26H47ClN2O MolecularWeight: 439.11718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47ClN2O/c1-6-11-14-21(15-12-7-2)20-26(10-5,24-16-17-25(30)29-28-24)19-18-22(13-8-3)23(27)9-4/h16-17,21-23H,6-15,18-20H2,1-5H3,(H,29,30)