3-[14,14,15,15-tetrakis(bromanyl)-10-butan-2-yl-7-methyl-icosan-10-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[14,14,15,15-tetrakis(bromanyl)-10-butan-2-yl-7-methyl-icosan-10-yl]-1H-pyridazin-6-one Openeye Name: 3-[5,5,6,6-tetrabromo-1-(3-methylnonyl)-1-sec-butyl-undecyl]-1H-pyridazin-6-one CAS Name: 3-(14,14,15,15-tetrabromo-10-butan-2-yl-7-methyleicosan-10-yl)-1H-pyridazin-6-one IUPAC Name: 3-(14,14,15,15-tetrabromo-10-butan-2-yl-7-methylicosan-10-yl)-1H-pyridazin-6-one Traditional Name: 3-[5,5,6,6-tetrabromo-1-(3-methylnonyl)-1-sec-butyl-undecyl]-1H-pyridazin-6-one Formula: C29H50Br4N2O MolecularWeight: 762.3361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50Br4N2O/c1-6-9-11-12-15-23(4)18-22-27(24(5)8-3,25-16-17-26(36)35-34-25)19-14-21-29(32,33)28(30,31)20-13-10-7-2/h16-17,23-24H,6-15,18-22H2,1-5H3,(H,35,36)