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

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

Systemtic Name:2,4-dihexadecyl-3-oxidanylidene-hexacosanoic acid
Openeye Name:2,4-dihexadecyl-3-oxo-hexacosanoic acid
CAS Name:2,4-dihexadecyl-3-oxohexacosanoic acid
IUPAC Name:2,4-dihexadecyl-3-oxohexacosanoic acid
Traditional Name:2,4-dicetyl-3-keto-cerotic acid
Formula: C58H114O3
MolecularWeight: 859.52396
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C58H114O3/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-35-38-41-44-47-50-53-55(52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)57(59)56(58(60)61)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h55-56H,4-54H2,1-3H3,(H,60,61)


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