[2,2-bis(hydroxymethyl)-3-(9-methylheptadecanoyloxy)propyl] 9-methylheptadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-(9-methylheptadecanoyloxy)propyl] 9-methylheptadecanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-(9-methylheptadecanoyloxy)propyl] 9-methylheptadecanoate CAS Name: 9-methylheptadecanoic acid [2,2-bis(hydroxymethyl)-3-(9-methyl-1-oxoheptadecoxy)propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-(9-methylheptadecanoyloxy)propyl] 9-methylheptadecanoate Traditional Name: 9-methylheptadecanoic acid [3-hydroxy-2-(9-methylheptadecanoyloxymethyl)-2-methylol-propyl] ester Formula: C41H80O6 MolecularWeight: 669.0703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(C)CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC(C)CCCCCCCC

InChI

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