[4-(cyanomethyl)phenyl] 4-cyanobenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1CC#N)OS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

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