2-[[(2S)-1-(12-bromanyldodecanoyloxy)-3-(10-pyren-1-yldecanoyloxy)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-1-(12-bromanyldodecanoyloxy)-3-(10-pyren-1-yldecanoyloxy)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(1S)-1-(12-bromododecanoyloxymethyl)-2-(10-pyren-1-yldecanoyloxy)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-1-(12-bromo-1-oxododecoxy)-3-[1-oxo-10-(1-pyrenyl)decoxy]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-1-(12-bromododecanoyloxy)-3-(10-pyren-1-yldecanoyloxy)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(1S)-1-(12-bromododecanoyloxymethyl)-2-(10-pyren-1-yldecanoyloxy)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H68BrNO8P+ MolecularWeight: 873.911781

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)(O)OC(COC(=O)CCCCCCCCCCCBr)COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C[N+](C)(C)CCOP(=O)(O)O[C@@H](COC(=O)CCCCCCCCCCCBr)COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C46H67BrNO8P/c1-48(2,3)33-34-55-57(51,52)56-41(35-53-43(49)24-17-13-9-5-4-6-11-15-19-32-47)36-54-44(50)25-18-14-10-7-8-12-16-21-37-26-27-40-29-28-38-22-20-23-39-30-31-42(37)46(40)45(38)39/h20,22-23,26-31,41H,4-19,21,24-25,32-36H2,1-3H3/p+1/t41-/m0/s1