(2-methyl-4-oxidanylidene-pentacosyl) docosanoate

Systemtic Name: (2-methyl-4-oxidanylidene-pentacosyl) docosanoate Openeye Name: (2-methyl-4-oxo-pentacosyl) docosanoate CAS Name: docosanoic acid (2-methyl-4-oxopentacosyl) ester IUPAC Name: (2-methyl-4-oxopentacosyl) docosanoate Traditional Name: behenic acid (4-keto-2-methyl-pentacosyl) ester Formula: C48H94O3 MolecularWeight: 719.25816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H94O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-47(49)44-46(3)45-51-48(50)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h46H,4-45H2,1-3H3