[(4-nitrophenyl)-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [(4-nitrophenyl)-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-(4-nitrophenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-(4-nitrophenyl)-$l^{3}-iodanyl] ester IUPAC Name: [hydroxy-(4-nitrophenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-(4-nitrophenyl)iodinanyl] ester Formula: C13H12INO6S MolecularWeight: 437.20695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H12INO6S/c1-10-2-8-13(9-3-10)22(19,20)21-14(16)11-4-6-12(7-5-11)15(17)18/h2-9,16H,1H3