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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14IO2.C7H8O3S/c1-3-13-8(2)9-6-4-5-7-10(9)11-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,12H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t8-;/m0./s1