5-tert-butyl-2-methoxy-3-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methoxy-3-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methoxy-5-methyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methoxy-5-methylbenzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methoxy-5-methylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methoxy-5-methyl-benzoic acid Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1OC)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C13H18O4/c1-7-6-8(13(2,3)4)10(14)9(12(15)16)11(7)17-5/h6,14H,1-5H3,(H,15,16)