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

Systemtic Name: 3-[(4-methylphenyl)sulfonyloxy-oxidanyl-$l^{3}-iodanyl]benzoic acid Openeye Name: 3-[hydroxy(p-tolylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid CAS Name: 3-[hydroxy-(4-methylphenyl)sulfonyloxy-$l^{3}-iodanyl]benzoic acid IUPAC Name: 3-[hydroxy-(4-methylphenyl)sulfonyloxy-$l^{3}-iodanyl]benzoic acid Traditional Name: 3-[hydroxy(tosyloxy)iodinanyl]benzoic acid Formula: C14H13IO6S MolecularWeight: 436.21889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C14H13IO6S/c1-10-5-7-13(8-6-10)22(19,20)21-15(18)12-4-2-3-11(9-12)14(16)17/h2-9,18H,1H3,(H,16,17)