2-hexadecyl-4-octadecan-9-yl-3-oxidanylidene-icosanoate

Systemtic Name: 2-hexadecyl-4-octadecan-9-yl-3-oxidanylidene-icosanoate Openeye Name: 2-hexadecyl-4-(1-octyldecyl)-3-oxo-icosanoate CAS Name: 2-hexadecyl-4-octadecan-9-yl-3-oxoeicosanoate IUPAC Name: 2-hexadecyl-4-octadecan-9-yl-3-oxoicosanoate Traditional Name: 2-cetyl-3-keto-4-(1-octyldecyl)arachidate Formula: C54H105O3- MolecularWeight: 802.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C54H106O3/c1-5-9-13-17-21-23-25-27-29-31-33-36-40-44-48-51(50(46-42-38-20-16-12-8-4)47-43-39-35-19-15-11-7-3)53(55)52(54(56)57)49-45-41-37-34-32-30-28-26-24-22-18-14-10-6-2/h50-52H,5-49H2,1-4H3,(H,56,57)/p-1