iodanium 2,4-dimethylbenzenesulfonate

Systemtic Name: iodanium 2,4-dimethylbenzenesulfonate Openeye Name: iodonium 2,4-dimethylbenzenesulfonate CAS Name: iodonium 2,4-dimethylbenzenesulfonate IUPAC Name: iodanium 2,4-dimethylbenzenesulfonate Traditional Name: iodonium 2,4-dimethylbesylate Formula: C8H11IO3S MolecularWeight: 314.14061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.[IH2+]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.[IH2+]

InChI

InChI=1S/C8H10O3S.H2I/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H2/q;+1/p-1