3-ethyl-2,4,5-trimethyl-benzenesulfonic acid

Systemtic Name: 3-ethyl-2,4,5-trimethyl-benzenesulfonic acid Openeye Name: 3-ethyl-2,4,5-trimethyl-benzenesulfonic acid CAS Name: 3-ethyl-2,4,5-trimethylbenzenesulfonic acid IUPAC Name: 3-ethyl-2,4,5-trimethylbenzenesulfonic acid Traditional Name: 3-ethyl-2,4,5-trimethyl-besylic acid Formula: C11H16O3S MolecularWeight: 228.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C)S(=O)(=O)O)C)C

Isomeric SMILES

CCC1=C(C(=CC(=C1C)S(=O)(=O)O)C)C

InChI

InChI=1S/C11H16O3S/c1-5-10-8(3)7(2)6-11(9(10)4)15(12,13)14/h6H,5H2,1-4H3,(H,12,13,14)