[4-(cyanomethyl)phenyl] thiophene-2-sulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] thiophene-2-sulfonate Openeye Name: [4-(cyanomethyl)phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C12H9NO3S2 MolecularWeight: 279.33476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO3S2/c13-8-7-10-3-5-11(6-4-10)16-18(14,15)12-2-1-9-17-12/h1-6,9H,7H2