5-tert-butyl-3-ethanoyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-ethanoyl-2-oxidanyl-benzoic acid Openeye Name: 3-acetyl-5-tert-butyl-2-hydroxy-benzoic acid CAS Name: 3-acetyl-5-tert-butyl-2-hydroxybenzoic acid IUPAC Name: 3-acetyl-5-tert-butyl-2-hydroxybenzoic acid Traditional Name: 3-acetyl-5-tert-butyl-2-hydroxy-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H16O4/c1-7(14)9-5-8(13(2,3)4)6-10(11(9)15)12(16)17/h5-6,15H,1-4H3,(H,16,17)