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2-[(4-methylphenyl)-(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid

2-[(4-methylphenyl)-(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid

Systemtic Name:2-[(4-methylphenyl)-(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid
Openeye Name:2-[p-tolyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid
CAS Name:2-[(4-methylphenyl)-(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid
IUPAC Name:2-[(4-methylphenyl)-(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid
Traditional Name:2-[p-tolyl(triflyloxy)iodinanyl]benzoic acid
Formula: C15H12F3IO5S
MolecularWeight: 488.21746
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)I(C2=CC=CC=C2C(=O)O)OS(=O)(=O)C(F)(F)F


Isomeric SMILES

CC1=CC=C(C=C1)I(C2=CC=CC=C2C(=O)O)OS(=O)(=O)C(F)(F)F


InChI

InChI=1S/C15H12F3IO5S/c1-10-6-8-11(9-7-10)19(24-25(22,23)15(16,17)18)13-5-3-2-4-12(13)14(20)21/h2-9H,1H3,(H,20,21)


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