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

Systemtic Name: [2-ethyl-6-[(1S)-1-methoxyethyl]phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: [2-ethyl-6-[(1S)-1-methoxyethyl]phenyl]-hydroxy-iodonium; 4-methylbenzenesulfonate CAS Name: [2-ethyl-6-[(1S)-1-methoxyethyl]phenyl]-hydroxyiodonium; 4-methylbenzenesulfonate IUPAC Name: [2-ethyl-6-[(1S)-1-methoxyethyl]phenyl]-hydroxyiodanium; 4-methylbenzenesulfonate Traditional Name: [2-ethyl-6-[(1S)-1-methoxyethyl]phenyl]-hydroxy-iodonium tosylate Formula: C18H23IO5S MolecularWeight: 478.34169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)OC)[I+]O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)[C@H](C)OC)[I+]O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16IO2.C7H8O3S/c1-4-9-6-5-7-10(8(2)14-3)11(9)12-13;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,13H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t8-;/m0./s1