cyanomethyl 3,4-bis(chloranyl)benzenesulfonate

Systemtic Name: cyanomethyl 3,4-bis(chloranyl)benzenesulfonate Openeye Name: cyanomethyl 3,4-dichlorobenzenesulfonate CAS Name: 3,4-dichlorobenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 3,4-dichlorobenzenesulfonate Traditional Name: 3,4-dichlorobenzenesulfonic acid cyanomethyl ester Formula: C8H5Cl2NO3S MolecularWeight: 266.1012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)OCC#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)OCC#N)Cl)Cl

InChI

InChI=1S/C8H5Cl2NO3S/c9-7-2-1-6(5-8(7)10)15(12,13)14-4-3-11/h1-2,5H,4H2