2-[2,3-bis(12-methyloctadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis(12-methyloctadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(12-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis(12-methyl-1-oxooctadecoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(12-methyloctadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis(12-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H93NO8P+ MolecularWeight: 819.206281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H92NO8P/c1-8-10-12-26-32-42(3)34-28-22-18-14-16-20-24-30-36-45(48)52-40-44(41-54-56(50,51)53-39-38-47(5,6)7)55-46(49)37-31-25-21-17-15-19-23-29-35-43(4)33-27-13-11-9-2/h42-44H,8-41H2,1-7H3/p+1