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

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-propan-2-yloxy-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-isopropoxy-6-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-propan-2-yloxyphenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-propan-2-yloxyphenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-isopropoxy-6-[(1S)-1-methoxyethyl]phenyl]iodonium tosylate Formula: C19H25IO6S MolecularWeight: 508.36767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)OC1=CC=CC(=C1[I+]O)C(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H18IO3.C7H8O3S/c1-8(2)16-11-7-5-6-10(9(3)15-4)12(11)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