[3-(2-methylnonadecanoyloxy)-2,2-bis(2-methylnonadecanoyloxymethyl)propyl] 2-methylnonadecanoate

Systemtic Name: [3-(2-methylnonadecanoyloxy)-2,2-bis(2-methylnonadecanoyloxymethyl)propyl] 2-methylnonadecanoate Openeye Name: [3-(2-methylnonadecanoyloxy)-2,2-bis(2-methylnonadecanoyloxymethyl)propyl] 2-methylnonadecanoate CAS Name: 2-methylnonadecanoic acid [3-(2-methyl-1-oxononadecoxy)-2,2-bis[(2-methyl-1-oxononadecoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylnonadecanoyloxy)-2,2-bis(2-methylnonadecanoyloxymethyl)propyl] 2-methylnonadecanoate Traditional Name: 2-methylnonadecanoic acid [3-(2-methylnonadecanoyloxy)-2,2-bis(2-methylnonadecanoyloxymethyl)propyl] ester Formula: C85H164O8 MolecularWeight: 1314.20686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C85H164O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-77(5)81(86)90-73-85(74-91-82(87)78(6)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,75-92-83(88)79(7)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)76-93-84(89)80(8)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h77-80H,9-76H2,1-8H3