[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] hexadecanoate

Systemtic Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] hexadecanoate Openeye Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] hexadecanoate CAS Name: hexadecanoic acid [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl] ester IUPAC Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] hexadecanoate Traditional Name: palmitic acid [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] ester Formula: C31H54O2 MolecularWeight: 458.75926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC1=C(CCCC1(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C1=C(CCCC1(C)C)C

InChI

InChI=1S/C31H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30(32)33-26-24-27(2)22-23-29-28(3)20-19-25-31(29,4)5/h22-24H,6-21,25-26H2,1-5H3/b23-22+,27-24+