(4-propanoylphenyl) 2-cyanobenzenesulfonate

Systemtic Name: (4-propanoylphenyl) 2-cyanobenzenesulfonate Openeye Name: (4-propanoylphenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (4-propionylphenyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c1-2-15(18)12-7-9-14(10-8-12)21-22(19,20)16-6-4-3-5-13(16)11-17/h3-10H,2H2,1H3