[2-ethanoyl-4-iodanyl-5-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-4-iodanyl-5-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-acetyl-4-iodo-5-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-4-iodo-5-(4-methylphenyl)sulfonyloxyphenyl] ester IUPAC Name: [2-acetyl-4-iodo-5-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-4-iodo-5-tosyloxy-phenyl) ester Formula: C22H19IO7S2 MolecularWeight: 586.41653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C(=O)C)I)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C(=O)C)I)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H19IO7S2/c1-14-4-8-17(9-5-14)31(25,26)29-21-13-22(20(23)12-19(21)16(3)24)30-32(27,28)18-10-6-15(2)7-11-18/h4-13H,1-3H3