[3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate

Systemtic Name: [3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate Openeye Name: [3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate CAS Name: cyclononadecanecarboxylic acid [3-(1-oxoeicosoxy)-2,2-bis(1-oxoeicosoxymethyl)propyl] ester IUPAC Name: [3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] cyclononadecanecarboxylate Traditional Name: cyclononadecanecarboxylic acid [3-eicosanoyloxy-2,2-bis(eicosanoyloxymethyl)propyl] ester Formula: C85H162O8 MolecularWeight: 1312.19098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C85H162O8/c1-4-7-10-13-16-19-22-25-28-31-38-43-48-53-58-63-68-73-81(86)90-76-85(77-91-82(87)74-69-64-59-54-49-44-39-32-29-26-23-20-17-14-11-8-5-2,78-92-83(88)75-70-65-60-55-50-45-40-33-30-27-24-21-18-15-12-9-6-3)79-93-84(89)80-71-66-61-56-51-46-41-36-34-35-37-42-47-52-57-62-67-72-80/h80H,4-79H2,1-3H3