sodium 3-methyl-2-oxidanylidene-3-(4-propan-2-ylphenyl)butanoate

Systemtic Name: sodium 3-methyl-2-oxidanylidene-3-(4-propan-2-ylphenyl)butanoate Openeye Name: sodium 3-(4-isopropylphenyl)-3-methyl-2-oxo-butanoate CAS Name: sodium 3-methyl-2-oxo-3-(4-propan-2-ylphenyl)butanoate IUPAC Name: sodium 3-methyl-2-oxo-3-(4-propan-2-ylphenyl)butanoate Traditional Name: sodium 2-keto-3-methyl-3-p-cumenyl-butyrate Formula: C14H17NaO3 MolecularWeight: 256.27275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3.Na/c1-9(2)10-5-7-11(8-6-10)14(3,4)12(15)13(16)17;/h5-9H,1-4H3,(H,16,17);/q;+1/p-1