sodium 2-[4-(2-methylpropyl)phenyl]-3-oxidanyl-propanoate

Systemtic Name: sodium 2-[4-(2-methylpropyl)phenyl]-3-oxidanyl-propanoate Openeye Name: sodium 3-hydroxy-2-(4-isobutylphenyl)propanoate CAS Name: sodium 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: sodium 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: sodium 3-hydroxy-2-(4-isobutylphenyl)propionate Formula: C13H17NaO3 MolecularWeight: 244.26205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3.Na/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16;/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16);/q;+1/p-1