[2-[(1S)-1-methoxyethyl]-6-phenyl-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-phenyl-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenyl-phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenylphenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenylphenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenyl-phenyl]iodonium tosylate Formula: C22H23IO5S MolecularWeight: 526.38449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16IO2.C7H8O3S/c1-11(18-2)13-9-6-10-14(15(13)16-17)12-7-4-3-5-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,17H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t11-;/m0./s1