hexasodium N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine hexaethanoate

Systemtic Name: hexasodium N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine hexaethanoate Openeye Name: hexasodium N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hexaacetate CAS Name: hexasodium N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hexaacetate IUPAC Name: hexasodium N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hexaacetate Traditional Name: hexasodium 2-aminoethyl-[2-(2-aminoethylamino)ethyl]amine hexaacetate Formula: C18H36N4Na6O12 MolecularWeight: 638.43666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCNCCN)N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCNCCN)N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H18N4.6C2H4O2.6Na/c7-1-3-9-5-6-10-4-2-8;6*1-2(3)4;;;;;;/h9-10H,1-8H2;6*1H3,(H,3,4);;;;;;/q;;;;;;;6*+1/p-6