[7-iodanyl-5-methyl-2-(2-methylphenyl)-4-oxidanylidene-2-phenyl-1,3-benzodioxin-8-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [7-iodanyl-5-methyl-2-(2-methylphenyl)-4-oxidanylidene-2-phenyl-1,3-benzodioxin-8-yl] tris(fluoranyl)methanesulfonate Openeye Name: [7-iodo-5-methyl-2-(o-tolyl)-4-oxo-2-phenyl-1,3-benzodioxin-8-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [7-iodo-5-methyl-2-(2-methylphenyl)-4-oxo-2-phenyl-1,3-benzodioxin-8-yl] ester IUPAC Name: [7-iodo-5-methyl-2-(2-methylphenyl)-4-oxo-2-phenyl-1,3-benzodioxin-8-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [7-iodo-4-keto-5-methyl-2-(o-tolyl)-2-phenyl-1,3-benzodioxin-8-yl] ester Formula: C23H16F3IO6S MolecularWeight: 604.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(OC3=C(C(=CC(=C3OS(=O)(=O)C(F)(F)F)I)C)C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2(OC3=C(C(=CC(=C3OS(=O)(=O)C(F)(F)F)I)C)C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C23H16F3IO6S/c1-13-8-6-7-11-16(13)22(15-9-4-3-5-10-15)31-20-18(21(28)32-22)14(2)12-17(27)19(20)33-34(29,30)23(24,25)26/h3-12H,1-2H3