dimethyliodanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyliodanium; 4-methylbenzenesulfonate Openeye Name: dimethyliodonium; 4-methylbenzenesulfonate CAS Name: dimethyliodonium; 4-methylbenzenesulfonate IUPAC Name: dimethyliodanium; 4-methylbenzenesulfonate Traditional Name: dimethyliodonium tosylate Formula: C9H13IO3S MolecularWeight: 328.16719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H6I/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-2/h2-5H,1H3,(H,8,9,10);1-2H3/q;+1/p-1