(iodanyl-oxidanyl-phenyl-methyl) 4-methylbenzenesulfonate

Systemtic Name: (iodanyl-oxidanyl-phenyl-methyl) 4-methylbenzenesulfonate Openeye Name: (hydroxy-iodo-phenyl-methyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (hydroxy-iodo-phenylmethyl) ester IUPAC Name: (hydroxy-iodo-phenylmethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (hydroxy-iodo-phenyl-methyl) ester Formula: C14H13IO4S MolecularWeight: 404.22009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)(O)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)(O)I

InChI

InChI=1S/C14H13IO4S/c1-11-7-9-13(10-8-11)20(17,18)19-14(15,16)12-5-3-2-4-6-12/h2-10,16H,1H3