icosan-9-yl 2-hexadecyl-3-oxidanylidene-icosanoate

Systemtic Name: icosan-9-yl 2-hexadecyl-3-oxidanylidene-icosanoate Openeye Name: 1-octyldodecyl 2-hexadecyl-3-oxo-icosanoate CAS Name: 2-hexadecyl-3-oxoeicosanoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl 2-hexadecyl-3-oxoicosanoate Traditional Name: 2-cetyl-3-keto-arachidic acid 1-octyldodecyl ester Formula: C56H110O3 MolecularWeight: 831.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)C(=O)OC(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)C(=O)OC(CCCCCCCC)CCCCCCCCCCC

InChI

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