[2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-hexadecanoyloxy-propyl] ester Formula: C55H94O6 MolecularWeight: 851.33126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C

InChI

InChI=1S/C55H94O6/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-39-52(56)59-45-50(46-60-53(57)40-33-31-29-27-25-23-21-19-17-15-13-11-9-2)61-54(58)44-48(4)37-34-36-47(3)41-42-51-49(5)38-35-43-55(51,6)7/h34,36-37,41-42,44,50H,8-33,35,38-40,43,45-46H2,1-7H3/b37-34+,42-41+,47-36+,48-44+