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

Systemtic Name: [2-[(1S)-1-methoxyethyl]phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-[(1S)-1-methoxyethyl]phenyl]iodonium tosylate Formula: C16H19IO5S MolecularWeight: 450.28853

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C9H12IO2.C7H8O3S/c1-7(12-2)8-5-3-4-6-9(8)10-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t7-;/m0./s1