O5-(1-hexadecanoyloxypropan-2-yl) O1-(phenylmethyl) 2-hexadecanoyloxy-3,3-dimethyl-pentanedioate

Systemtic Name: O5-(1-hexadecanoyloxypropan-2-yl) O1-(phenylmethyl) 2-hexadecanoyloxy-3,3-dimethyl-pentanedioate Openeye Name: O1-benzyl O5-(2-hexadecanoyloxy-1-methyl-ethyl) 2-hexadecanoyloxy-3,3-dimethyl-pentanedioate CAS Name: 3,3-dimethyl-2-(1-oxohexadecoxy)pentanedioic acid O5-[1-(1-oxohexadecoxy)propan-2-yl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-(1-hexadecanoyloxypropan-2-yl) 2-hexadecanoyloxy-3,3-dimethylpentanedioate Traditional Name: 2-hexadecanoyloxy-3,3-dimethyl-glutaric acid O1-benzyl ester O5-(2-hexadecanoyloxy-1-methyl-ethyl) ester Formula: C49H84O8 MolecularWeight: 801.18646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H84O8/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-37-44(50)54-40-42(3)56-46(52)39-49(4,5)47(48(53)55-41-43-35-31-30-32-36-43)57-45(51)38-34-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-32,35-36,42,47H,6-29,33-34,37-41H2,1-5H3