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

Systemtic Name: 2,4-dihexadecyl-3-oxidanylidene-octacosanoic acid Openeye Name: 2,4-dihexadecyl-3-oxo-octacosanoic acid CAS Name: 2,4-dihexadecyl-3-oxooctacosanoic acid IUPAC Name: 2,4-dihexadecyl-3-oxooctacosanoic acid Traditional Name: 2,4-dicetyl-3-keto-montanic acid Formula: C60H118O3 MolecularWeight: 887.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C60H118O3/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-37-40-43-46-49-52-55-57(54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2)59(61)58(60(62)63)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h57-58H,4-56H2,1-3H3,(H,62,63)