[3-docosanoyloxy-2,3-bis(oxidanyl)propyl] cyclohenicosanecarboxylate

Systemtic Name: [3-docosanoyloxy-2,3-bis(oxidanyl)propyl] cyclohenicosanecarboxylate Openeye Name: (3-docosanoyloxy-2,3-dihydroxy-propyl) cyclohenicosanecarboxylate CAS Name: cycloheneicosanecarboxylic acid [2,3-dihydroxy-3-(1-oxodocosoxy)propyl] ester IUPAC Name: (3-docosanoyloxy-2,3-dihydroxypropyl) cyclohenicosanecarboxylate Traditional Name: cycloheneicosanecarboxylic acid (3-docosanoyloxy-2,3-dihydroxy-propyl) ester Formula: C47H90O6 MolecularWeight: 751.2139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(COC(=O)C1CCCCCCCCCCCCCCCCCCCC1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(COC(=O)C1CCCCCCCCCCCCCCCCCCCC1)O)O

InChI

InChI=1S/C47H90O6/c1-2-3-4-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-38-41-45(49)53-47(51)44(48)42-52-46(50)43-39-36-33-30-27-24-21-18-15-13-14-16-19-22-25-28-31-34-37-40-43/h43-44,47-48,51H,2-42H2,1H3