1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: 1,3-bis[(Z)-1-oxooctadec-9-enoxy]propan-2-yl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H84NO8P MolecularWeight: 786.113421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(53-54(48,49)52-39-38-45(3,4)5)41-51-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-