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

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-propan-2-yl-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-isopropyl-6-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-propan-2-ylphenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-propan-2-ylphenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-isopropyl-6-[(1S)-1-methoxyethyl]phenyl]iodonium tosylate Formula: C19H25IO5S MolecularWeight: 492.36827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18IO2.C7H8O3S/c1-8(2)10-6-5-7-11(9(3)15-4)12(10)13-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t9-;/m0./s1