3-[1,1-bis(chloranyl)-13-methyl-hexacosan-13-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[1,1-bis(chloranyl)-13-methyl-hexacosan-13-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-(12,12-dichlorododecyl)-1-methyl-tetradecyl]-1H-pyridazin-6-one CAS Name: 3-(1,1-dichloro-13-methylhexacosan-13-yl)-1H-pyridazin-6-one IUPAC Name: 3-(1,1-dichloro-13-methylhexacosan-13-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(12,12-dichlorododecyl)-1-methyl-tetradecyl]-1H-pyridazin-6-one Formula: C31H56Cl2N2O MolecularWeight: 543.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(CCCCCCCCCCCC(Cl)Cl)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCCCCCCCCC(C)(CCCCCCCCCCCC(Cl)Cl)C1=NNC(=O)C=C1

InChI

InChI=1S/C31H56Cl2N2O/c1-3-4-5-6-7-8-9-12-15-18-21-26-31(2,28-24-25-30(36)35-34-28)27-22-19-16-13-10-11-14-17-20-23-29(32)33/h24-25,29H,3-23,26-27H2,1-2H3,(H,35,36)