[2-[10,11,13,14,16,17-hexakis(iodanyl)octadecanoyloxy]-3-[9,10,12,13-tetrakis(iodanyl)octadecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[10,11,13,14,16,17-hexakis(iodanyl)octadecanoyloxy]-3-[9,10,12,13-tetrakis(iodanyl)octadecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(10,11,13,14,16,17-hexaiodooctadecanoyloxy)-3-(9,10,12,13-tetraiodooctadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(10,11,13,14,16,17-hexaiodo-1-oxooctadecoxy)-3-(9,10,12,13-tetraiodo-1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(10,11,13,14,16,17-hexaiodooctadecanoyloxy)-3-(9,10,12,13-tetraiodooctadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(10,11,13,14,16,17-hexaiodooctadecanoyloxy)-3-(9,10,12,13-tetraiodooctadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H78I10NO8P MolecularWeight: 2049.110481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC(C(CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(C(CC(C(CC(C(C)I)I)I)I)I)I)I)I)I)I

Isomeric SMILES

CCCCCC(C(CC(C(CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(C(CC(C(CC(C(C)I)I)I)I)I)I)I)I)I)I

InChI

InChI=1S/C44H78I10NO8P/c1-6-7-15-20-34(46)38(50)28-39(51)35(47)22-17-12-10-14-18-23-43(56)60-30-33(31-62-64(58,59)61-26-25-55(3,4)5)63-44(57)24-19-13-9-8-11-16-21-36(48)40(52)29-42(54)41(53)27-37(49)32(2)45/h32-42H,6-31H2,1-5H3