[2-hexadecanoyloxy-3-[2-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[2-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[3-(4-hydroxy-3-iodanyl-phenyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[hydroxy-[2-[[3-(4-hydroxy-3-iodanylphenyl)-1-oxopropyl]amino]ethoxy]phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[3-(4-hydroxy-3-iodanylphenyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-[hydroxy-[2-[3-(4-hydroxy-3-iodanyl-phenyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] ester Formula: C46H81INO10P MolecularWeight: 964.014425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC1=CC(=C(C=C1)O)I)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC1=CC(=C(C=C1)O)[125I])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C46H81INO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-45(51)55-38-41(58-46(52)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-57-59(53,54)56-36-35-48-44(50)34-32-40-31-33-43(49)42(47)37-40/h31,33,37,41,49H,3-30,32,34-36,38-39H2,1-2H3,(H,48,50)(H,53,54)/i47-2