(2-cyanophenyl) 4-ethanoylbenzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-ethanoylbenzenesulfonate Openeye Name: (2-cyanophenyl) 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid (2-cyanophenyl) ester Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N

InChI

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