2-[[(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxy]-10-oxidanylidene-decanoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxy]-10-oxidanylidene-decanoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxo-decanoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methoxy]-1,10-dioxodecoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-[2-iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]benzyl]oxy-10-keto-decanoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C43H71F3IN3O10P+ MolecularWeight: 1002.911535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(=O)OCC1=C(C=C(C=C1)C2(N=N2)C(F)(F)F)I

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(=O)OCC1=C(C=C(C=C1)C2(N=N2)C(F)(F)F)[125I]

InChI

InChI=1S/C43H70F3IN3O10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-22-25-40(52)57-33-37(34-59-61(54,55)58-30-29-50(2,3)4)60-41(53)26-23-20-17-16-19-21-24-39(51)56-32-35-27-28-36(31-38(35)47)42(48-49-42)43(44,45)46/h27-28,31,37H,5-26,29-30,32-34H2,1-4H3/p+1/t37-/m1/s1/i47-2