[methylperoxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [methylperoxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [methylperoxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [methyldioxy(phenyl)-$l^{3}-iodanyl] ester IUPAC Name: [methylperoxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [methylperoxy(phenyl)iodinanyl] ester Formula: C14H15IO5S MolecularWeight: 422.23537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15IO5S/c1-12-8-10-14(11-9-12)21(16,17)20-15(19-18-2)13-6-4-3-5-7-13/h3-11H,1-2H3