[2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-[1-oxo-4-(1-pyrenyl)butoxy]propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] ester Formula: C55H82O6 MolecularWeight: 839.23598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C55H82O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-51(56)59-43-49(61-53(58)35-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44-60-52(57)36-30-31-45-37-38-48-40-39-46-32-29-33-47-41-42-50(45)55(48)54(46)47/h29,32-33,37-42,49H,3-28,30-31,34-36,43-44H2,1-2H3