2-[4-(2-methylpropyl)phenyl]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(4-isobutylphenyl)propanoic acid CAS Name: 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 3-hydroxy-2-(4-isobutylphenyl)propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CO)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CO)C(=O)O

InChI

InChI=1S/C13H18O3/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)