(3-ethanoylphenyl) 2-cyanobenzenesulfonate

Systemtic Name: (3-ethanoylphenyl) 2-cyanobenzenesulfonate Openeye Name: (3-acetylphenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (3-acetylphenyl) ester Formula: C15H11NO4S MolecularWeight: 301.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H11NO4S/c1-11(17)12-6-4-7-14(9-12)20-21(18,19)15-8-3-2-5-13(15)10-16/h2-9H,1H3