2-[[(2R)-2,3-bis(9-chloranyloctadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2,3-bis(9-chloranyloctadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2,3-bis(9-chlorooctadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2,3-bis(9-chloro-1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2,3-bis(9-chlorooctadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2,3-bis(9-chlorooctadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H87Cl2NO8P+ MolecularWeight: 860.043241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(CCCCCCCCC)Cl)Cl

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(CCCCCCCCC)Cl)Cl

InChI

InChI=1S/C44H86Cl2NO8P/c1-6-8-10-12-14-18-24-30-40(45)32-26-20-16-22-28-34-43(48)52-38-42(39-54-56(50,51)53-37-36-47(3,4)5)55-44(49)35-29-23-17-21-27-33-41(46)31-25-19-15-13-11-9-7-2/h40-42H,6-39H2,1-5H3/p+1/t40?,41?,42-/m1/s1