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

Systemtic Name: [5-methoxy-2-[(1S)-1-methoxyethyl]phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[5-methoxy-2-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[5-methoxy-2-[(1S)-1-methoxyethyl]phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[5-methoxy-2-[(1S)-1-methoxyethyl]phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[5-methoxy-2-[(1S)-1-methoxyethyl]phenyl]iodonium tosylate Formula: C17H21IO6S MolecularWeight: 480.31451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14IO3.C7H8O3S/c1-7(13-2)9-5-4-8(14-3)6-10(9)11-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,12H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t7-;/m0./s1