3-[8-butyl-13,13-bis(chloranyl)-3,5-diethyl-7-methyl-tetradecan-7-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[8-butyl-13,13-bis(chloranyl)-3,5-diethyl-7-methyl-tetradecan-7-yl]-1H-pyridazin-6-one Openeye Name: 3-[2-butyl-7,7-dichloro-1-(2,4-diethylhexyl)-1-methyl-octyl]-1H-pyridazin-6-one CAS Name: 3-(8-butyl-13,13-dichloro-3,5-diethyl-7-methyltetradecan-7-yl)-1H-pyridazin-6-one IUPAC Name: 3-(8-butyl-13,13-dichloro-3,5-diethyl-7-methyltetradecan-7-yl)-1H-pyridazin-6-one Traditional Name: 3-[2-butyl-7,7-dichloro-1-(2,4-diethylhexyl)-1-methyl-octyl]-1H-pyridazin-6-one Formula: C27H48Cl2N2O MolecularWeight: 487.58882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48Cl2N2O/c1-7-11-14-23(15-12-13-18-27(6,28)29)26(5,24-16-17-25(32)31-30-24)20-22(10-4)19-21(8-2)9-3/h16-17,21-23H,7-15,18-20H2,1-6H3,(H,31,32)