[3-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-2-phenylmethoxy-propyl]-trimethyl-azanium

Systemtic Name: [3-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-2-phenylmethoxy-propyl]-trimethyl-azanium Openeye Name: [2-benzyloxy-3-[2,3-di(octadecanoyloxy)propoxy-hydroxy-phosphoryl]oxy-propyl]-trimethyl-ammonium CAS Name: [3-[2,3-bis(1-oxooctadecoxy)propoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylammonium IUPAC Name: [3-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium Traditional Name: [2-benzoxy-3-[2,3-distearoyloxypropoxy(hydroxy)phosphoryl]oxy-propyl]-trimethyl-ammonium Formula: C52H97NO9P+ MolecularWeight: 911.301641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C[N+](C)(C)C)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C[N+](C)(C)C)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H96NO9P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-51(54)59-45-50(62-52(55)42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47-61-63(56,57)60-46-49(43-53(3,4)5)58-44-48-39-35-34-36-40-48/h34-36,39-40,49-50H,6-33,37-38,41-47H2,1-5H3/p+1