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

Systemtic Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-ethyl-dimethyl-azanium Openeye Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-ethyl-dimethyl-ammonium CAS Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxyphosphoryl]oxy-3-hydroxypropyl]-ethyl-dimethylammonium IUPAC Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxyphosphoryl]oxy-3-hydroxypropyl]-ethyl-dimethylazanium Traditional Name: [3-[2,3-bis[(E)-docos-13-enoxy]propoxy-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-ethyl-dimethyl-ammonium Formula: C54H109NO7P+ MolecularWeight: 915.419521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H108NO7P/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-59-51-53(52-61-63(57,58)62-54(56)47-48-55(4,5)8-3)60-50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h21-24,53-54,56H,6-20,25-52H2,1-5H3/p+1/b23-21+,24-22+