[5,7-bis(iodanyl)quinolin-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [5,7-bis(iodanyl)quinolin-8-yl] 4-methylbenzenesulfonate Openeye Name: (5,7-diiodo-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5,7-diiodo-8-quinolinyl) ester IUPAC Name: (5,7-diiodoquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,7-diiodo-8-quinolyl) ester Formula: C16H11I2NO3S MolecularWeight: 551.13738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)I)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)I)I

InChI

InChI=1S/C16H11I2NO3S/c1-10-4-6-11(7-5-10)23(20,21)22-16-14(18)9-13(17)12-3-2-8-19-15(12)16/h2-9H,1H3