1,3-di(hexadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraynoate

Systemtic Name: 1,3-di(hexadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraynoate Openeye Name: [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] icosa-5,8,11,14-tetraynoate CAS Name: eicosa-5,8,11,14-tetraynoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester IUPAC Name: 1,3-di(hexadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraynoate Traditional Name: eicosa-5,8,11,14-tetraynoic acid [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] ester Formula: C55H90O6 MolecularWeight: 847.2995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC#CCC#CCC#CCC#CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC#CCC#CCC#CCC#CCCCCC

InChI

InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h52H,4-15,17-18,20-24,27,29-30,32-36,38-39,41-51H2,1-3H3