barium(2+); 2-cyanoethyl phosphate

Systemtic Name: barium(2+); 2-cyanoethyl phosphate Openeye Name: barium(2+); 2-cyanoethyl phosphate CAS Name: barium(2+); 2-cyanoethyl phosphate IUPAC Name: barium(2+); 2-cyanoethyl phosphate Traditional Name: barium(2+); 2-cyanoethyl phosphate Formula: C3H4BaNO4P MolecularWeight: 286.368921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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