[4-(cyanomethyl)phenyl] 3-cyanobenzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-cyanobenzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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