disodium [2-ethoxycarbonyloxy-3-(1-ethoxycarbonyloxyethyl)pentadecan-4-yl]azanium chloride

Systemtic Name: disodium [2-ethoxycarbonyloxy-3-(1-ethoxycarbonyloxyethyl)pentadecan-4-yl]azanium chloride Openeye Name: disodium 1-[2-ethoxycarbonyloxy-1-(1-ethoxycarbonyloxyethyl)propyl]dodecylammonium chloride CAS Name: disodium [2-ethoxycarbonyloxy-3-(1-ethoxycarbonyloxyethyl)pentadecan-4-yl]ammonium chloride IUPAC Name: disodium [2-ethoxycarbonyloxy-3-(1-ethoxycarbonyloxyethyl)pentadecan-4-yl]azanium chloride Traditional Name: disodium 1-[2-carbethoxyoxy-1-(1-carbethoxyoxyethyl)propyl]dodecylammonium chloride Formula: C23H46ClNNa2O6+2 MolecularWeight: 514.04698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C(C)OC(=O)OCC)C(C)OC(=O)OCC)[NH3+].[Na+].[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(C(C(C)OC(=O)OCC)C(C)OC(=O)OCC)[NH3+].[Na+].[Na+].[Cl-]

InChI

InChI=1S/C23H45NO6.ClH.2Na/c1-6-9-10-11-12-13-14-15-16-17-20(24)21(18(4)29-22(25)27-7-2)19(5)30-23(26)28-8-3;;;/h18-21H,6-17,24H2,1-5H3;1H;;/q;;2*+1