[2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-oxo-nonadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hydroxy-4-oxo-2-[(E)-1-oxooctadec-9-enoxy]heneicosan-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hydroxy-2-[(E)-octadec-9-enoyl]oxy-4-oxohenicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-keto-nonadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H86NO8P MolecularWeight: 788.129301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCC=CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(47)44(53-54(49,50)51-39-38-45(3,4)5)42(40-46)52-43(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42,44,46H,6-20,22,24-40H2,1-5H3/b23-21+