2-(2-cyanoethyl)propanedioate dihydrate

Systemtic Name: 2-(2-cyanoethyl)propanedioate dihydrate Openeye Name: 2-(2-cyanoethyl)propanedioate dihydrate CAS Name: 2-(2-cyanoethyl)propanedioate dihydrate IUPAC Name: 2-(2-cyanoethyl)propanedioate dihydrate Traditional Name: 2-(2-cyanoethyl)malonate dihydrate Formula: C6H9NO6-2 MolecularWeight: 191.13876

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)[O-])C(=O)[O-])C#N.O.O

Isomeric SMILES

C(CC(C(=O)[O-])C(=O)[O-])C#N.O.O

InChI

InChI=1S/C6H7NO4.2H2O/c7-3-1-2-4(5(8)9)6(10)11;;/h4H,1-2H2,(H,8,9)(H,10,11);2*1H2/p-2