2-[[3-hexadecanoyl-1,2-bis(oxidanyl)-4-oxidanylidene-nonadecoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyl-1,2-bis(oxidanyl)-4-oxidanylidene-nonadecoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-hexadecanoyl-1,2-dihydroxy-4-oxo-nonadecoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1,2-dihydroxy-4-oxo-3-(1-oxohexadecyl)nonadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-hexadecanoyl-1,2-dihydroxy-4-oxononadecoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-hexadecanoyl-1,2-dihydroxy-4-keto-nonadecoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C40H81NO8P+ MolecularWeight: 735.046801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(O)OP(=O)(O)OCC[N+](C)(C)C)O)C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(O)OP(=O)(O)OCC[N+](C)(C)C)O)C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(42)38(39(44)40(45)49-50(46,47)48-35-34-41(3,4)5)37(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-40,44-45H,6-35H2,1-5H3/p+1