(3-cyanophenyl) 2,5-dimethylthiophene-3-sulfonate

Systemtic Name: (3-cyanophenyl) 2,5-dimethylthiophene-3-sulfonate Openeye Name: (3-cyanophenyl) 2,5-dimethylthiophene-3-sulfonate CAS Name: 2,5-dimethyl-3-thiophenesulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2,5-dimethylthiophene-3-sulfonate Traditional Name: 2,5-dimethylthiophene-3-sulfonic acid (3-cyanophenyl) ester Formula: C13H11NO3S2 MolecularWeight: 293.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)OC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H11NO3S2/c1-9-6-13(10(2)18-9)19(15,16)17-12-5-3-4-11(7-12)8-14/h3-7H,1-2H3