2-[[3-[9,10-bis(bromanyl)octadecanoyloxy]-2-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-[9,10-bis(bromanyl)octadecanoyloxy]-2-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(9,10-dibromooctadecanoyloxy)-2-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(9,10-dibromo-1-oxooctadecoxy)-2-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(9,10-dibromooctadecanoyloxy)-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(9,10-dibromooctadecanoyloxy)-2-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H83Br2NO8P+ MolecularWeight: 920.892081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H82Br2NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-24-29-33-42(47)53-38(37-52-54(48,49)51-35-34-45(3,4)5)36-50-41(46)32-28-25-21-23-27-31-40(44)39(43)30-26-22-13-11-9-7-2/h38-40H,6-37H2,1-5H3/p+1