2-[2,3-bis(8-butyloctadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis(8-butyloctadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(8-butyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis(8-butyl-1-oxooctadecoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(8-butyloctadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis(8-butyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C52H105NO8P+ MolecularWeight: 903.365761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(CCCC)CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCC)CCCCCCCCCC

InChI

InChI=1S/C52H104NO8P/c1-8-12-16-18-20-22-24-30-38-48(36-14-10-3)40-32-26-28-34-42-51(54)58-46-50(47-60-62(56,57)59-45-44-53(5,6)7)61-52(55)43-35-29-27-33-41-49(37-15-11-4)39-31-25-23-21-19-17-13-9-2/h48-50H,8-47H2,1-7H3/p+1