[3-hexadecoxy-2-(2-methylpropanoyloxy)propyl] 16-methylheptadecanoate

Systemtic Name: [3-hexadecoxy-2-(2-methylpropanoyloxy)propyl] 16-methylheptadecanoate Openeye Name: [3-hexadecoxy-2-(2-methylpropanoyloxy)propyl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [3-hexadecoxy-2-(2-methyl-1-oxopropoxy)propyl] ester IUPAC Name: [3-hexadecoxy-2-(2-methylpropanoyloxy)propyl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid (3-cetyloxy-2-isobutyryloxy-propyl) ester Formula: C41H80O5 MolecularWeight: 653.0709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)C(C)C

InChI

InChI=1S/C41H80O5/c1-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-44-35-39(46-41(43)38(4)5)36-45-40(42)33-30-27-24-21-18-15-14-17-20-23-26-29-32-37(2)3/h37-39H,6-36H2,1-5H3