sodium 3-[4-(2-methylpropyl)phenyl]-2-oxidanylidene-butanoate

Systemtic Name: sodium 3-[4-(2-methylpropyl)phenyl]-2-oxidanylidene-butanoate Openeye Name: sodium 3-(4-isobutylphenyl)-2-oxo-butanoate CAS Name: sodium 3-[4-(2-methylpropyl)phenyl]-2-oxobutanoate IUPAC Name: sodium 3-[4-(2-methylpropyl)phenyl]-2-oxobutanoate Traditional Name: sodium 3-(4-isobutylphenyl)-2-keto-butyrate Formula: C14H17NaO3 MolecularWeight: 256.27275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14(16)17;/h4-7,9-10H,8H2,1-3H3,(H,16,17);/q;+1/p-1