cyclohexane-1,2,3,4,5,6-hexol; 3-dodecanoyloxypropyl(trimethyl)azanium; triphosphate

Systemtic Name: cyclohexane-1,2,3,4,5,6-hexol; 3-dodecanoyloxypropyl(trimethyl)azanium; triphosphate Openeye Name: cyclohexane-1,2,3,4,5,6-hexol; 3-dodecanoyloxypropyl(trimethyl)ammonium; triphosphate CAS Name: cyclohexane-1,2,3,4,5,6-hexol; trimethyl-[3-(1-oxododecoxy)propyl]ammonium; triphosphate IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol; 3-dodecanoyloxypropyl(trimethyl)azanium; triphosphate Traditional Name: cyclohexane-1,2,3,4,5,6-hexol; 3-lauroyloxypropyl(trimethyl)ammonium; triphosphate Formula: C24H50NO20P3-8 MolecularWeight: 765.569783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCCC[N+](C)(C)C.C1(C(C(C(C(C1O)O)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCCC[N+](C)(C)C.C1(C(C(C(C(C1O)O)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H38NO2.C6H12O6.3H3O4P/c1-5-6-7-8-9-10-11-12-13-15-18(20)21-17-14-16-19(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-5(2,3)4/h5-17H2,1-4H3;1-12H;3*(H3,1,2,3,4)/q+1;;;;/p-9