barium(2+); 2-cyanoethyl phosphate; hydrate

Systemtic Name: barium(2+); 2-cyanoethyl phosphate; hydrate Openeye Name: barium(2+); 2-cyanoethyl phosphate; hydrate CAS Name: barium(2+); 2-cyanoethyl phosphate; hydrate IUPAC Name: barium(2+); 2-cyanoethyl phosphate; hydrate Traditional Name: barium(2+); 2-cyanoethyl phosphate; hydrate Formula: C3H6BaNO5P MolecularWeight: 304.384201

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)([O-])[O-])C#N.O.[Ba+2]

Isomeric SMILES

C(COP(=O)([O-])[O-])C#N.O.[Ba+2]

InChI

InChI=1S/C3H6NO4P.Ba.H2O/c4-2-1-3-8-9(5,6)7;;/h1,3H2,(H2,5,6,7);;1H2/q;+2;/p-2