3-(3-tert-butyl-5-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3-tert-butyl-5-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-tert-butyl-5-hydroxy-phenyl)propanoic acid CAS Name: 3-(3-tert-butyl-5-hydroxyphenyl)propanoic acid IUPAC Name: 3-(3-tert-butyl-5-hydroxyphenyl)propanoic acid Traditional Name: 3-(3-tert-butyl-5-hydroxy-phenyl)propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CCC(=O)O)O

InChI

InChI=1S/C13H18O3/c1-13(2,3)10-6-9(4-5-12(15)16)7-11(14)8-10/h6-8,14H,4-5H2,1-3H3,(H,15,16)