(2,5-dimethylphenyl) 4-iodanylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-iodanylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-iodobenzenesulfonate CAS Name: 4-iodobenzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-iodobenzenesulfonate Traditional Name: 4-iodobenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C14H13IO3S MolecularWeight: 388.22069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H13IO3S/c1-10-3-4-11(2)14(9-10)18-19(16,17)13-7-5-12(15)6-8-13/h3-9H,1-2H3