[2-[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[[4-(2,2-dimethyl-1-oxopropyl)phenyl]methoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-hexadecanoyloxy-2-(4-pivaloylbenzyl)oxy-propyl] ester Formula: C47H82O6 MolecularWeight: 743.15038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCC1=CC=C(C=C1)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCC1=CC=C(C=C1)C(=O)C(C)(C)C

InChI

InChI=1S/C47H82O6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-44(48)52-39-43(51-38-41-34-36-42(37-35-41)46(50)47(3,4)5)40-53-45(49)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-37,43H,6-33,38-40H2,1-5H3