2,4-dihexadecyl-3-oxidanylidene-docosanoate

Systemtic Name: 2,4-dihexadecyl-3-oxidanylidene-docosanoate Openeye Name: 2,4-dihexadecyl-3-oxo-docosanoate CAS Name: 2,4-dihexadecyl-3-oxodocosanoate IUPAC Name: 2,4-dihexadecyl-3-oxodocosanoate Traditional Name: 2,4-dicetyl-3-keto-behenate Formula: C54H105O3- MolecularWeight: 802.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C54H106O3/c1-4-7-10-13-16-19-22-25-28-29-31-34-37-40-43-46-49-51(48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)53(55)52(54(56)57)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h51-52H,4-50H2,1-3H3,(H,56,57)/p-1