[2-(cyclononadecylcarbonyloxymethyl)-3-icosanoyloxy-2-(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate

Systemtic Name: [2-(cyclononadecylcarbonyloxymethyl)-3-icosanoyloxy-2-(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate Openeye Name: [2-(cyclononadecanecarbonyloxymethyl)-3-icosanoyloxy-2-(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate CAS Name: cyclononadecanecarboxylic acid [2-[[cyclononadecyl(oxo)methoxy]methyl]-3-(1-oxoeicosoxy)-2-(1-oxoeicosoxymethyl)propyl] ester IUPAC Name: [2-(cyclononadecanecarbonyloxymethyl)-3-icosanoyloxy-2-(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate Traditional Name: cyclononadecanecarboxylic acid [2-(cyclononadecanecarbonyloxymethyl)-3-eicosanoyloxy-2-(eicosanoyloxymethyl)propyl] ester Formula: C85H160O8 MolecularWeight: 1310.1751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)C1CCCCCCCCCCCCCCCCCC1)COC(=O)C2CCCCCCCCCCCCCCCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)C1CCCCCCCCCCCCCCCCCC1)COC(=O)C2CCCCCCCCCCCCCCCCCC2

InChI

InChI=1S/C85H160O8/c1-3-5-7-9-11-13-15-17-19-21-31-37-43-49-55-61-67-73-81(86)90-75-85(76-91-82(87)74-68-62-56-50-44-38-32-22-20-18-16-14-12-10-8-6-4-2,77-92-83(88)79-69-63-57-51-45-39-33-27-23-24-28-34-40-46-52-58-64-70-79)78-93-84(89)80-71-65-59-53-47-41-35-29-25-26-30-36-42-48-54-60-66-72-80/h79-80H,3-78H2,1-2H3