[2,6-bis(iodanyl)-4-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-bis(iodanyl)-4-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: (2,6-diiodo-4-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,6-diiodo-4-nitrophenyl) ester IUPAC Name: (2,6-diiodo-4-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,6-diiodo-4-nitro-phenyl) ester Formula: C13H9I2NO5S MolecularWeight: 545.0882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)[N+](=O)[O-])I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)[N+](=O)[O-])I

InChI

InChI=1S/C13H9I2NO5S/c1-8-2-4-10(5-3-8)22(19,20)21-13-11(14)6-9(16(17)18)7-12(13)15/h2-7H,1H3