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12-hexyl-2-icosan-9-yl-13-oxidanylidene-triacontanoate

12-hexyl-2-icosan-9-yl-13-oxidanylidene-triacontanoate

Systemtic Name:12-hexyl-2-icosan-9-yl-13-oxidanylidene-triacontanoate
Openeye Name:12-hexyl-2-(1-octyldodecyl)-13-oxo-triacontanoate
CAS Name:2-eicosan-9-yl-12-hexyl-13-oxotriacontanoate
IUPAC Name:12-hexyl-2-icosan-9-yl-13-oxotriacontanoate
Traditional Name:12-hexyl-13-keto-2-(1-octyldodecyl)melissate
Formula: C56H109O3-
MolecularWeight: 830.46286
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)[O-]


InChI

InChI=1S/C56H110O3/c1-5-9-13-17-20-22-23-24-25-26-27-29-34-39-45-51-55(57)53(48-40-16-12-8-4)49-43-37-32-30-33-38-44-50-54(56(58)59)52(46-41-35-19-15-11-7-3)47-42-36-31-28-21-18-14-10-6-2/h52-54H,5-51H2,1-4H3,(H,58,59)/p-1


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