(3-cyanophenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate

Systemtic Name: (3-cyanophenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate Openeye Name: (3-cyanophenyl) 2,5-dichloro-3,6-dimethyl-benzenesulfonate CAS Name: 2,5-dichloro-3,6-dimethylbenzenesulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2,5-dichloro-3,6-dimethylbenzenesulfonate Traditional Name: 2,5-dichloro-3,6-dimethyl-benzenesulfonic acid (3-cyanophenyl) ester Formula: C15H11Cl2NO3S MolecularWeight: 356.22374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=CC(=C2)C#N)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=CC(=C2)C#N)C)Cl

InChI

InChI=1S/C15H11Cl2NO3S/c1-9-6-13(16)10(2)15(14(9)17)22(19,20)21-12-5-3-4-11(7-12)8-18/h3-7H,1-2H3