[2-(5-chloranyl-3,3-dimethyl-5-oxidanylidene-pentanoyl)oxy-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-(5-chloranyl-3,3-dimethyl-5-oxidanylidene-pentanoyl)oxy-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-(5-chloro-3,3-dimethyl-5-oxo-pentanoyl)oxy-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(5-chloro-3,3-dimethyl-1,5-dioxopentoxy)-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-(5-chloro-3,3-dimethyl-5-oxopentanoyl)oxy-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-(5-chloro-5-keto-3,3-dimethyl-pentanoyl)oxy-3-hexadecanoyloxy-propyl] ester Formula: C42H77ClO7 MolecularWeight: 729.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC(C)(C)CC(=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC(C)(C)CC(=O)Cl

InChI

InChI=1S/C42H77ClO7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(45)48-35-37(50-41(47)34-42(3,4)33-38(43)44)36-49-40(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3