[4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxy-phenyl)-3,5-bis(oxidanylidene)hepta-1,6-dienyl]-2-methoxy-phenyl] hexadecanoate

Systemtic Name: [4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxy-phenyl)-3,5-bis(oxidanylidene)hepta-1,6-dienyl]-2-methoxy-phenyl] hexadecanoate Openeye Name: [4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxy-phenyl)-3,5-dioxo-hepta-1,6-dienyl]-2-methoxy-phenyl] hexadecanoate CAS Name: hexadecanoic acid [2-methoxy-4-[(1E,6E)-7-[3-methoxy-4-(1-oxohexadecoxy)phenyl]-3,5-dioxohepta-1,6-dienyl]phenyl] ester IUPAC Name: [4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hexadecanoate Traditional Name: palmitic acid [4-[(1E,6E)-7-(4-hexadecanoyloxy-3-methoxy-phenyl)-3,5-diketo-hepta-1,6-dienyl]-2-methoxy-phenyl] ester Formula: C53H80O8 MolecularWeight: 845.1975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)OC)OC

InChI

InChI=1S/C53H80O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-52(56)60-48-39-35-44(41-50(48)58-3)33-37-46(54)43-47(55)38-34-45-36-40-49(51(42-45)59-4)61-53(57)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-42H,5-32,43H2,1-4H3/b37-33+,38-34+