3-[12,12,13-tris(chloranyl)-4,8,10-trimethyl-henicosan-10-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[12,12,13-tris(chloranyl)-4,8,10-trimethyl-henicosan-10-yl]-1H-pyridazin-6-one Openeye Name: 3-[3,3,4-trichloro-1-(2,6-dimethylnonyl)-1-methyl-dodecyl]-1H-pyridazin-6-one CAS Name: 3-(12,12,13-trichloro-4,8,10-trimethylheneicosan-10-yl)-1H-pyridazin-6-one IUPAC Name: 3-(12,12,13-trichloro-4,8,10-trimethylhenicosan-10-yl)-1H-pyridazin-6-one Traditional Name: 3-[3,3,4-trichloro-1-(2,6-dimethylnonyl)-1-methyl-dodecyl]-1H-pyridazin-6-one Formula: C28H49Cl3N2O MolecularWeight: 536.06046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49Cl3N2O/c1-6-8-9-10-11-12-17-24(29)28(30,31)21-27(5,25-18-19-26(34)33-32-25)20-23(4)16-13-15-22(3)14-7-2/h18-19,22-24H,6-17,20-21H2,1-5H3,(H,33,34)