[3-(2-methylundecanoyloxy)-2,2-bis(2-methylundecanoyloxymethyl)propyl] 2-methylundecanoate

Systemtic Name: [3-(2-methylundecanoyloxy)-2,2-bis(2-methylundecanoyloxymethyl)propyl] 2-methylundecanoate Openeye Name: [3-(2-methylundecanoyloxy)-2,2-bis(2-methylundecanoyloxymethyl)propyl] 2-methylundecanoate CAS Name: 2-methylundecanoic acid [3-(2-methyl-1-oxoundecoxy)-2,2-bis[(2-methyl-1-oxoundecoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylundecanoyloxy)-2,2-bis(2-methylundecanoyloxymethyl)propyl] 2-methylundecanoate Traditional Name: 2-methylundecanoic acid [3-(2-methylundecanoyloxy)-2,2-bis(2-methylundecanoyloxymethyl)propyl] ester Formula: C53H100O8 MolecularWeight: 865.3563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCC)(COC(=O)C(C)CCCCCCCCC)COC(=O)C(C)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCC)(COC(=O)C(C)CCCCCCCCC)COC(=O)C(C)CCCCCCCCC

InChI

InChI=1S/C53H100O8/c1-9-13-17-21-25-29-33-37-45(5)49(54)58-41-53(42-59-50(55)46(6)38-34-30-26-22-18-14-10-2,43-60-51(56)47(7)39-35-31-27-23-19-15-11-3)44-61-52(57)48(8)40-36-32-28-24-20-16-12-4/h45-48H,9-44H2,1-8H3