3-[1,1-bis(bromanyl)-6-butyl-8-propyl-octadecan-8-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[1,1-bis(bromanyl)-6-butyl-8-propyl-octadecan-8-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-(7,7-dibromo-2-butyl-heptyl)-1-propyl-undecyl]-1H-pyridazin-6-one CAS Name: 3-(1,1-dibromo-6-butyl-8-propyloctadecan-8-yl)-1H-pyridazin-6-one IUPAC Name: 3-(1,1-dibromo-6-butyl-8-propyloctadecan-8-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(7,7-dibromo-2-butyl-heptyl)-1-propyl-undecyl]-1H-pyridazin-6-one Formula: C29H52Br2N2O MolecularWeight: 604.54398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52Br2N2O/c1-4-7-9-10-11-12-13-16-23-29(22-6-3,26-20-21-28(34)33-32-26)24-25(17-8-5-2)18-14-15-19-27(30)31/h20-21,25,27H,4-19,22-24H2,1-3H3,(H,33,34)