sodium 2-[2-(2-methylpropyl)phenyl]butanoate

Systemtic Name: sodium 2-[2-(2-methylpropyl)phenyl]butanoate Openeye Name: sodium 2-(2-isobutylphenyl)butanoate CAS Name: sodium 2-[2-(2-methylpropyl)phenyl]butanoate IUPAC Name: sodium 2-[2-(2-methylpropyl)phenyl]butanoate Traditional Name: sodium 2-(2-isobutylphenyl)butyrate Formula: C14H19NaO2 MolecularWeight: 242.28923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1CC(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1CC(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H20O2.Na/c1-4-12(14(15)16)13-8-6-5-7-11(13)9-10(2)3;/h5-8,10,12H,4,9H2,1-3H3,(H,15,16);/q;+1/p-1