2-[3-hexadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[3-hexadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[3-hexadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[1,3-dioxobutyldioxy(3-hexadecoxypropoxy)phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[3-hexadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[acetoacetylperoxy(3-cetyloxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H57NO8P+ MolecularWeight: 566.727841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)CC(=O)C

InChI

InChI=1S/C28H57NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-23-20-24-34-38(32,35-25-21-29(3,4)5)37-36-28(31)26-27(2)30/h6-26H2,1-5H3/q+1