[3-[2,3-bis[(E)-docos-13-enoxy]propoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-butyl-dimethyl-azanium

Systemtic Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-butyl-dimethyl-azanium Openeye Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-butyl-dimethyl-ammonium CAS Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxyphosphoryl]oxy-3-hydroxypropyl]-butyl-dimethylammonium IUPAC Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxyphosphoryl]oxy-3-hydroxypropyl]-butyl-dimethylazanium Traditional Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-butyl-dimethyl-ammonium Formula: C56H113NO7P+ MolecularWeight: 943.472681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOCC(COP(=O)(O)OC(CC[N+](C)(C)CCCC)O)OCCCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOCC(COP(=O)(O)OC(CC[N+](C)(C)CCCC)O)OCCCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C56H112NO7P/c1-6-9-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-51-61-53-55(54-63-65(59,60)64-56(58)48-50-57(4,5)49-11-8-3)62-52-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-10-7-2/h22-25,55-56,58H,6-21,26-54H2,1-5H3/p+1/b24-22+,25-23+