(4-methoxy-3-methoxycarbonyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: (4-methoxy-3-methoxycarbonyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (4-methoxy-3-methoxycarbonyl-phenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (4-methoxy-3-methoxycarbonylphenyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (4-methoxy-3-methoxycarbonylphenyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (3-carbomethoxy-4-methoxy-phenyl)-phenyl-iodonium tosylate Formula: C22H21IO6S MolecularWeight: 540.36801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=C(C=C(C=C1)[I+]C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=C(C=C(C=C1)[I+]C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H14IO3.C7H8O3S/c1-18-14-9-8-12(10-13(14)15(17)19-2)16-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1