trisodium ethane-1,2-diamine dodecaethanoate

Systemtic Name: trisodium ethane-1,2-diamine dodecaethanoate Openeye Name: trisodium ethane-1,2-diamine dodecaacetate CAS Name: trisodium ethane-1,2-diamine dodecaacetate IUPAC Name: trisodium ethane-1,2-diamine dodecaacetate Traditional Name: trisodium 2-aminoethylamine dodecaacetate Formula: C30H60N6Na3O24-9 MolecularWeight: 957.79251

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

Isomeric SMILES

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

InChI

InChI=1S/3C2H8N2.12C2H4O2.3Na/c3*3-1-2-4;12*1-2(3)4;;;/h3*1-4H2;12*1H3,(H,3,4);;;/q;;;;;;;;;;;;;;;3*+1/p-12