[2,2-bis(hydroxymethyl)-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [2,2-bis(hydroxymethyl)-3-(16-methyl-1-oxoheptadecoxy)propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [3-hydroxy-2-(16-methylheptadecanoyloxymethyl)-2-methylol-propyl] ester Formula: C41H80O6 MolecularWeight: 669.0703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C41H80O6/c1-37(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-39(44)46-35-41(33-42,34-43)36-47-40(45)32-28-24-20-16-12-8-6-10-14-18-22-26-30-38(3)4/h37-38,42-43H,5-36H2,1-4H3