disodium 1-azanyl-2-cyano-ethane-1,1-disulfonate trihydrate

Systemtic Name: disodium 1-azanyl-2-cyano-ethane-1,1-disulfonate trihydrate Openeye Name: disodium 1-amino-2-cyano-ethane-1,1-disulfonate trihydrate CAS Name: disodium 1-amino-2-cyanoethane-1,1-disulfonate trihydrate IUPAC Name: disodium 1-amino-2-cyanoethane-1,1-disulfonate trihydrate Traditional Name: disodium 1-amino-2-cyano-ethane-1,1-disulfonate trihydrate Formula: C3H10N2Na2O9S2 MolecularWeight: 328.22904

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)C(N)(S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C(C#N)C(N)(S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C3H6N2O6S2.2Na.3H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;/h1,5H2,(H,6,7,8)(H,9,10,11);;;3*1H2/q;2*+1;;;/p-2