3-(2-bromanyl-9,12-dimethyl-octadecan-9-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(2-bromanyl-9,12-dimethyl-octadecan-9-yl)-1H-pyridazin-6-one Openeye Name: 3-[1-(7-bromooctyl)-1,4-dimethyl-decyl]-1H-pyridazin-6-one CAS Name: 3-(2-bromo-9,12-dimethyloctadecan-9-yl)-1H-pyridazin-6-one IUPAC Name: 3-(2-bromo-9,12-dimethyloctadecan-9-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(7-bromooctyl)-1,4-dimethyl-decyl]-1H-pyridazin-6-one Formula: C24H43BrN2O MolecularWeight: 455.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCC(C)(CCCCCCC(C)Br)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCC(C)CCC(C)(CCCCCCC(C)Br)C1=NNC(=O)C=C1

InChI

InChI=1S/C24H43BrN2O/c1-5-6-7-10-13-20(2)17-19-24(4,22-15-16-23(28)27-26-22)18-12-9-8-11-14-21(3)25/h15-16,20-21H,5-14,17-19H2,1-4H3,(H,27,28)