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

Systemtic Name: barium(2+); 2-cyanoethyl phosphate; dihydrate Openeye Name: barium(2+); 2-cyanoethyl phosphate; dihydrate CAS Name: barium(2+); 2-cyanoethyl phosphate; dihydrate IUPAC Name: barium(2+); 2-cyanoethyl phosphate; dihydrate Traditional Name: barium(2+); 2-cyanoethyl phosphate; dihydrate Formula: C3H8BaNO6P MolecularWeight: 322.399481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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