sodium 5-(2-cyanophenoxy)pentanoate

Systemtic Name: sodium 5-(2-cyanophenoxy)pentanoate Openeye Name: sodium 5-(2-cyanophenoxy)pentanoate CAS Name: sodium 5-(2-cyanophenoxy)pentanoate IUPAC Name: sodium 5-(2-cyanophenoxy)pentanoate Traditional Name: sodium 5-(2-cyanophenoxy)valerate Formula: C12H12NNaO3 MolecularWeight: 241.21835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3.Na/c13-9-10-5-1-2-6-11(10)16-8-4-3-7-12(14)15;/h1-2,5-6H,3-4,7-8H2,(H,14,15);/q;+1/p-1