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(11-heptyl-12-oxidanylidene-nonacosan-10-yl) octadecanoate

(11-heptyl-12-oxidanylidene-nonacosan-10-yl) octadecanoate

Systemtic Name:(11-heptyl-12-oxidanylidene-nonacosan-10-yl) octadecanoate
Openeye Name:(2-heptyl-1-nonyl-3-oxo-icosyl) octadecanoate
CAS Name:octadecanoic acid (11-heptyl-12-oxononacosan-10-yl) ester
IUPAC Name:(11-heptyl-12-oxononacosan-10-yl) octadecanoate
Traditional Name:stearic acid (2-heptyl-3-keto-1-nonyl-eicosyl) ester
Formula: C54H106O3
MolecularWeight: 803.41764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCC)C(CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCC)C(CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC


InChI

InChI=1S/C54H106O3/c1-5-9-13-17-20-22-24-26-28-30-32-34-37-40-44-48-52(55)51(47-43-39-16-12-8-4)53(49-45-41-36-19-15-11-7-3)57-54(56)50-46-42-38-35-33-31-29-27-25-23-21-18-14-10-6-2/h51,53H,5-50H2,1-4H3


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