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

Systemtic Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate Openeye Name: sodium 2-(4-isobutylphenyl)propanoate dihydrate CAS Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate IUPAC Name: sodium 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate Traditional Name: sodium 2-(4-isobutylphenyl)propionate dihydrate Formula: C13H21NaO4 MolecularWeight: 264.29321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2.Na.2H2O/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);;2*1H2/q;+1;;/p-1