trisodium [2-ethoxycarbonyloxy-3,4-bis(1-ethoxycarbonyloxyethyl)tetradecan-3-yl]azanium chloride

Systemtic Name: trisodium [2-ethoxycarbonyloxy-3,4-bis(1-ethoxycarbonyloxyethyl)tetradecan-3-yl]azanium chloride Openeye Name: trisodium 1,1,2-tris(1-ethoxycarbonyloxyethyl)dodecylammonium chloride CAS Name: trisodium [2-ethoxycarbonyloxy-3,4-bis(1-ethoxycarbonyloxyethyl)tetradecan-3-yl]ammonium chloride IUPAC Name: trisodium [2-ethoxycarbonyloxy-3,4-bis(1-ethoxycarbonyloxyethyl)tetradecan-3-yl]azanium chloride Traditional Name: trisodium 1,1,2-tris(1-carbethoxyoxyethyl)dodecylammonium chloride Formula: C27H52ClNNa3O9+3 MolecularWeight: 639.12539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51NO9.ClH.3Na/c1-8-12-13-14-15-16-17-18-19-23(20(5)35-24(29)32-9-2)27(28,21(6)36-25(30)33-10-3)22(7)37-26(31)34-11-4;;;;/h20-23H,8-19,28H2,1-7H3;1H;;;/q;;3*+1