trimethyl-[8-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxyoctyl]azanium

Systemtic Name: trimethyl-[8-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxyoctyl]azanium Openeye Name: trimethyl-[8-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyoctyl]ammonium CAS Name: 8-[1,3-dioxobutyldioxy(3-octadecoxypropoxy)phosphoryl]oxyoctyl-trimethylammonium IUPAC Name: trimethyl-[8-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyoctyl]azanium Traditional Name: 8-[acetoacetylperoxy(3-stearyloxypropoxy)phosphoryl]oxyoctyl-trimethyl-ammonium Formula: C36H73NO8P+ MolecularWeight: 678.940481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCC[N+](C)(C)C)OOC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCC[N+](C)(C)C)OOC(=O)CC(=O)C

InChI

InChI=1S/C36H73NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-30-41-31-28-33-43-46(40,45-44-36(39)34-35(2)38)42-32-27-24-21-19-22-25-29-37(3,4)5/h6-34H2,1-5H3/q+1