(2-ethanoyl-5-methoxy-phenyl) 4-cyanobenzenesulfonate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 4-cyanobenzenesulfonate Openeye Name: (2-acetyl-5-methoxy-phenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C16H13NO5S MolecularWeight: 331.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO5S/c1-11(18)15-8-5-13(21-2)9-16(15)22-23(19,20)14-6-3-12(10-17)4-7-14/h3-9H,1-2H3