3-[3-hexadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxypropyl-trimethyl-azanium

Systemtic Name: 3-[3-hexadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxypropyl-trimethyl-azanium Openeye Name: 3-[3-hexadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxypropyl-trimethyl-ammonium CAS Name: 3-[1,3-dioxobutyldioxy(3-hexadecoxypropoxy)phosphoryl]oxypropyl-trimethylammonium IUPAC Name: 3-[3-hexadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxypropyl-trimethylazanium Traditional Name: 3-[acetoacetylperoxy(3-cetyloxypropoxy)phosphoryl]oxypropyl-trimethyl-ammonium Formula: C29H59NO8P+ MolecularWeight: 580.754421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H59NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-24-21-26-36-39(33,35-25-20-22-30(3,4)5)38-37-29(32)27-28(2)31/h6-27H2,1-5H3/q+1