[4-(cyanomethyl)phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 2-cyanobenzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)S(=O)(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)S(=O)(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H10N2O3S/c16-10-9-12-5-7-14(8-6-12)20-21(18,19)15-4-2-1-3-13(15)11-17/h1-8H,9H2