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

Systemtic Name: (2-ethanoyl-5-methyl-phenyl) 4-cyanobenzenesulfonate Openeye Name: (2-acetyl-5-methyl-phenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (2-acetyl-5-methylphenyl) ester IUPAC Name: (2-acetyl-5-methylphenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (2-acetyl-5-methyl-phenyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO4S/c1-11-3-8-15(12(2)18)16(9-11)21-22(19,20)14-6-4-13(10-17)5-7-14/h3-9H,1-2H3