sodium 2-phenylethanenitrile phosphate

Systemtic Name: sodium 2-phenylethanenitrile phosphate Openeye Name: sodium 2-phenylacetonitrile phosphate CAS Name: sodium 2-phenylacetonitrile phosphate IUPAC Name: sodium 2-phenylacetonitrile phosphate Traditional Name: sodium 2-phenylacetonitrile phosphate Formula: C8H7NNaO4P-2 MolecularWeight: 235.109011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#N.[O-]P(=O)([O-])[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC#N.[O-]P(=O)([O-])[O-].[Na+]

InChI

InChI=1S/C8H7N.Na.H3O4P/c9-7-6-8-4-2-1-3-5-8;;1-5(2,3)4/h1-5H,6H2;;(H3,1,2,3,4)/q;+1;/p-3