10-hexadecanoyl-10-hexadecyl-6-oxidanyl-5,9,11-tris(oxidanylidene)hexacosan-7-olate

Systemtic Name: 10-hexadecanoyl-10-hexadecyl-6-oxidanyl-5,9,11-tris(oxidanylidene)hexacosan-7-olate Openeye Name: 10-hexadecanoyl-10-hexadecyl-6-hydroxy-5,9,11-trioxo-hexacosan-7-olate CAS Name: 10-hexadecyl-6-hydroxy-5,9,11-trioxo-10-(1-oxohexadecyl)-7-hexacosanolate IUPAC Name: 10-hexadecanoyl-10-hexadecyl-6-hydroxy-5,9,11-trioxohexacosan-7-olate Traditional Name: 10-cetyl-10-hexadecanoyl-6-hydroxy-5,9,11-triketo-hexacosan-7-olate Formula: C58H109O6- MolecularWeight: 902.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)CC(C(C(=O)CCCC)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)CC(C(C(=O)CCCC)O)[O-]

InChI

InChI=1S/C58H109O6/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-50-58(56(63)51-53(60)57(64)52(59)47-12-8-4,54(61)48-44-41-38-35-32-29-26-23-20-17-14-10-6-2)55(62)49-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h53,57,64H,5-51H2,1-4H3/q-1