2-(tert-butylazaniumyl)ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate

Systemtic Name: 2-(tert-butylazaniumyl)ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate Openeye Name: 2-(tert-butylammonio)ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate CAS Name: 2-(tert-butylammonio)ethyl (2-ethoxy-3-hexadecoxypropyl) phosphate IUPAC Name: 2-(tert-butylazaniumyl)ethyl (2-ethoxy-3-hexadecoxypropyl) phosphate Traditional Name: 2-(tert-butylammonio)ethyl (3-cetyloxy-2-ethoxy-propyl) phosphate Formula: C27H58NO6P MolecularWeight: 523.726281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[NH2+]C(C)(C)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[NH2+]C(C)(C)C)OCC

InChI

InChI=1S/C27H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(32-7-2)25-34-35(29,30)33-23-21-28-27(3,4)5/h26,28H,6-25H2,1-5H3,(H,29,30)