2-[(2-decanoyloxy-3-undecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-decanoyloxy-3-undecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-decanoyloxy-3-undecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxodecoxy)-3-(1-oxoundecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-decanoyloxy-3-undecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-capryloxy-3-undecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H59NO8P+ MolecularWeight: 580.754421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC

InChI

InChI=1S/C29H58NO8P/c1-6-8-10-12-14-16-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30(3,4)5)38-29(32)22-20-18-15-13-11-9-7-2/h27H,6-26H2,1-5H3/p+1