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

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-methyl-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-methyl-phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-methylphenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-methylphenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-methyl-phenyl]iodonium tosylate Formula: C17H21IO5S MolecularWeight: 464.31511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14IO2.C7H8O3S/c1-7-5-4-6-9(8(2)13-3)10(7)11-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8,12H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t8-;/m0./s1