[4-[(4-hexadecanoyloxyphenyl)-pyridin-2-yl-methyl]phenyl] hexadecanoate

Systemtic Name: [4-[(4-hexadecanoyloxyphenyl)-pyridin-2-yl-methyl]phenyl] hexadecanoate Openeye Name: [4-[(4-hexadecanoyloxyphenyl)-(2-pyridyl)methyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[[4-(1-oxohexadecoxy)phenyl]-(2-pyridinyl)methyl]phenyl] ester IUPAC Name: [4-[(4-hexadecanoyloxyphenyl)-pyridin-2-ylmethyl]phenyl] hexadecanoate Traditional Name: palmitic acid [4-[(4-hexadecanoyloxyphenyl)-(2-pyridyl)methyl]phenyl] ester Formula: C50H75NO4 MolecularWeight: 754.1348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)C3=CC=CC=N3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)C3=CC=CC=N3

InChI

InChI=1S/C50H75NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-48(52)54-45-38-34-43(35-39-45)50(47-31-29-30-42-51-47)44-36-40-46(41-37-44)55-49(53)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-42,50H,3-28,32-33H2,1-2H3