2,4-dihexadecyl-3-oxidanylidene-tetracosanoic acid

Systemtic Name: 2,4-dihexadecyl-3-oxidanylidene-tetracosanoic acid Openeye Name: 2,4-dihexadecyl-3-oxo-tetracosanoic acid CAS Name: 2,4-dihexadecyl-3-oxotetracosanoic acid IUPAC Name: 2,4-dihexadecyl-3-oxotetracosanoic acid Traditional Name: 2,4-dicetyl-3-keto-lignoceric acid Formula: C56H110O3 MolecularWeight: 831.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C56H110O3/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-53(50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)55(57)54(56(58)59)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3/h53-54H,4-52H2,1-3H3,(H,58,59)