sodium 6-(2-cyanophenoxy)hexanoate

Systemtic Name: sodium 6-(2-cyanophenoxy)hexanoate Openeye Name: sodium 6-(2-cyanophenoxy)hexanoate CAS Name: sodium 6-(2-cyanophenoxy)hexanoate IUPAC Name: sodium 6-(2-cyanophenoxy)hexanoate Traditional Name: sodium 6-(2-cyanophenoxy)hexanoate Formula: C13H14NNaO3 MolecularWeight: 255.24493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3.Na/c14-10-11-6-3-4-7-12(11)17-9-5-1-2-8-13(15)16;/h3-4,6-7H,1-2,5,8-9H2,(H,15,16);/q;+1/p-1