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

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-(methoxymethoxy)phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-(methoxymethoxy)phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-(methoxymethoxy)phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-(methoxymethoxy)phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-(methoxymethoxy)phenyl]iodonium tosylate Formula: C18H23IO7S MolecularWeight: 510.34049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16IO4.C7H8O3S/c1-8(15-3)9-5-4-6-10(11(9)12-13)16-7-14-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8,13H,7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t8-;/m0./s1