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

Systemtic Name: 5-tert-butyl-3-methylsulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-tert-butyl-2-hydroxy-3-methylsulfonyl-benzoic acid CAS Name: 5-tert-butyl-2-hydroxy-3-methylsulfonylbenzoic acid IUPAC Name: 5-tert-butyl-2-hydroxy-3-methylsulfonylbenzoic acid Traditional Name: 5-tert-butyl-2-hydroxy-3-mesyl-benzoic acid Formula: C12H16O5S MolecularWeight: 272.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)S(=O)(=O)C

InChI

InChI=1S/C12H16O5S/c1-12(2,3)7-5-8(11(14)15)10(13)9(6-7)18(4,16)17/h5-6,13H,1-4H3,(H,14,15)