sodium 2-[4-(2-methylpropyl)phenyl]propanoate hydrate

Systemtic Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate hydrate Openeye Name: sodium 2-(4-isobutylphenyl)propanoate hydrate CAS Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate hydrate IUPAC Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate hydrate Traditional Name: sodium 2-(4-isobutylphenyl)propionate hydrate Formula: C13H19NaO3 MolecularWeight: 246.27793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2.Na.H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);;1H2/q;+1;/p-1