[3-(2-methyltridecanoyloxy)-2,2-bis(2-methyltridecanoyloxymethyl)propyl] 2-methyltridecanoate

Systemtic Name: [3-(2-methyltridecanoyloxy)-2,2-bis(2-methyltridecanoyloxymethyl)propyl] 2-methyltridecanoate Openeye Name: [3-(2-methyltridecanoyloxy)-2,2-bis(2-methyltridecanoyloxymethyl)propyl] 2-methyltridecanoate CAS Name: 2-methyltridecanoic acid [3-(2-methyl-1-oxotridecoxy)-2,2-bis[(2-methyl-1-oxotridecoxy)methyl]propyl] ester IUPAC Name: [3-(2-methyltridecanoyloxy)-2,2-bis(2-methyltridecanoyloxymethyl)propyl] 2-methyltridecanoate Traditional Name: 2-methyltridecanoic acid [3-(2-methyltridecanoyloxy)-2,2-bis(2-methyltridecanoyloxymethyl)propyl] ester Formula: C61H116O8 MolecularWeight: 977.56894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCC

InChI

InChI=1S/C61H116O8/c1-9-13-17-21-25-29-33-37-41-45-53(5)57(62)66-49-61(50-67-58(63)54(6)46-42-38-34-30-26-22-18-14-10-2,51-68-59(64)55(7)47-43-39-35-31-27-23-19-15-11-3)52-69-60(65)56(8)48-44-40-36-32-28-24-20-16-12-4/h53-56H,9-52H2,1-8H3