[4-(cyanomethyl)phenyl] 3,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 3,5-bis(chloranyl)benzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 3,5-dichlorobenzenesulfonate CAS Name: 3,5-dichlorobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3,5-dichlorobenzenesulfonate Traditional Name: 3,5-dichlorobenzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C14H9Cl2NO3S MolecularWeight: 342.19716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9Cl2NO3S/c15-11-7-12(16)9-14(8-11)21(18,19)20-13-3-1-10(2-4-13)5-6-17/h1-4,7-9H,5H2