(4-cyanophenyl) benzenesulfonate

Systemtic Name: (4-cyanophenyl) benzenesulfonate Openeye Name: (4-cyanophenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-cyanophenyl) ester Formula: C13H9NO3S MolecularWeight: 259.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO3S/c14-10-11-6-8-12(9-7-11)17-18(15,16)13-4-2-1-3-5-13/h1-9H