[3,6-bis(iodanyl)naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,6-bis(iodanyl)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: (3,6-diiodo-1-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,6-diiodo-1-naphthalenyl) ester IUPAC Name: (3,6-diiodonaphthalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,6-diiodo-1-naphthyl) ester Formula: C17H12I2O3S MolecularWeight: 550.14932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)I)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)I)I

InChI

InChI=1S/C17H12I2O3S/c1-11-2-5-15(6-3-11)23(20,21)22-17-10-14(19)9-12-8-13(18)4-7-16(12)17/h2-10H,1H3