(4-chlorophenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (4-chlorophenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (4-chlorophenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (4-chlorophenyl) ester Formula: C14H13ClO3S MolecularWeight: 296.76922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H13ClO3S/c1-10-3-8-14(9-11(10)2)19(16,17)18-13-6-4-12(15)5-7-13/h3-9H,1-2H3