sodium 4-phenylbutanoate

Systemtic Name: sodium 4-phenylbutanoate Openeye Name: sodium 4-phenylbutanoate CAS Name: sodium 4-phenylbutanoate IUPAC Name: sodium 4-phenylbutanoate Traditional Name: sodium 4-phenylbutyrate Formula: C10H11NaO2 MolecularWeight: 186.18291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1