diphenyliodanium; 4-methylbenzenesulfonate

Systemtic Name: diphenyliodanium; 4-methylbenzenesulfonate Openeye Name: diphenyliodonium; 4-methylbenzenesulfonate CAS Name: diphenyliodonium; 4-methylbenzenesulfonate IUPAC Name: diphenyliodanium; 4-methylbenzenesulfonate Traditional Name: diphenyliodonium tosylate Formula: C19H17IO3S MolecularWeight: 452.30595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C12H10I.C7H8O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1