[1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecyl-amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecyl-amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecyl-amino]ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[octadecyl-[(E)-1-oxooctadec-9-enyl]amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecylamino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-[[(E)-octadec-9-enoyl]-stearyl-amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C60H121N2O6P MolecularWeight: 997.586301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C60H121N2O6P/c1-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-61(60(63)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-2)57-59(68-69(64,65)67-56-54-62(4,5)6)58-66-55-51-48-45-42-39-36-30-27-24-21-18-15-12-9-3/h29,32,59H,7-28,30-31,33-58H2,1-6H3/b32-29+