4-ethanoylbenzenesulfonic acid

Systemtic Name: 4-ethanoylbenzenesulfonic acid Openeye Name: 4-acetylbenzenesulfonic acid CAS Name: 4-acetylbenzenesulfonic acid IUPAC Name: 4-acetylbenzenesulfonic acid Traditional Name: 4-acetylbesylic acid Formula: C8H8O4S MolecularWeight: 200.21172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O4S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-5H,1H3,(H,10,11,12)