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

Systemtic Name: 2-[3-heptadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[3-heptadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[1,3-dioxobutyldioxy(3-heptadecoxypropoxy)phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[3-heptadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[acetoacetylperoxy(3-heptadecoxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H59NO8P+ MolecularWeight: 580.754421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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