trisodium 3,4-bis(azanyl)butan-1-ol triethanoate hexahydrate

Systemtic Name: trisodium 3,4-bis(azanyl)butan-1-ol triethanoate hexahydrate Openeye Name: trisodium 3,4-diaminobutan-1-ol triacetate hexahydrate CAS Name: trisodium 3,4-diamino-1-butanol triacetate hexahydrate IUPAC Name: trisodium 3,4-diaminobutan-1-ol triacetate hexahydrate Traditional Name: trisodium 3,4-diaminobutan-1-ol triacetate hexahydrate Formula: C10H33N2Na3O13 MolecularWeight: 458.34393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H12N2O.3C2H4O2.3Na.6H2O/c5-3-4(6)1-2-7;3*1-2(3)4;;;;;;;;;/h4,7H,1-3,5-6H2;3*1H3,(H,3,4);;;;6*1H2/q;;;;3*+1;;;;;;/p-3