sodium 3-(2,5-dimethylphenyl)-3-methyl-butanoate

Systemtic Name: sodium 3-(2,5-dimethylphenyl)-3-methyl-butanoate Openeye Name: sodium 3-(2,5-dimethylphenyl)-3-methyl-butanoate CAS Name: sodium 3-(2,5-dimethylphenyl)-3-methylbutanoate IUPAC Name: sodium 3-(2,5-dimethylphenyl)-3-methylbutanoate Traditional Name: sodium 3-(2,5-dimethylphenyl)-3-methyl-butyrate Formula: C13H17NaO2 MolecularWeight: 228.26265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)(C)CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)(C)CC(=O)[O-].[Na+]

InChI

InChI=1S/C13H18O2.Na/c1-9-5-6-10(2)11(7-9)13(3,4)8-12(14)15;/h5-7H,8H2,1-4H3,(H,14,15);/q;+1/p-1