2-[[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-3-(1-oxohexadecoxy)-2-[1-oxo-10-(1-pyrenyl)decoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-hexadecanoyloxy-2-(10-pyren-1-yldecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C50H77NO8P+ MolecularWeight: 851.122041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C50H76NO8P/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-29-47(52)56-39-45(40-58-60(54,55)57-38-37-51(2,3)4)59-48(53)30-24-21-18-15-16-19-22-26-41-31-32-44-34-33-42-27-25-28-43-35-36-46(41)50(44)49(42)43/h25,27-28,31-36,45H,5-24,26,29-30,37-40H2,1-4H3/p+1/t45-/m1/s1