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

Systemtic Name: [2-[(1S)-1-methoxyethyl]-6-phenylmethoxy-phenyl]-oxidanyl-iodanium; 4-methylbenzenesulfonate Openeye Name: [2-benzyloxy-6-[(1S)-1-methoxyethyl]phenyl]-hydroxy-iodonium; 4-methylbenzenesulfonate CAS Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: hydroxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: [2-benzoxy-6-[(1S)-1-methoxyethyl]phenyl]-hydroxy-iodonium tosylate Formula: C23H25IO6S MolecularWeight: 556.41047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C1=C(C(=CC=C1)OCC2=CC=CC=C2)[I+]O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C@@H](C1=C(C(=CC=C1)OCC2=CC=CC=C2)[I+]O)OC

InChI

InChI=1S/C16H18IO3.C7H8O3S/c1-12(19-2)14-9-6-10-15(16(14)17-18)20-11-13-7-4-3-5-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,12,18H,11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t12-;/m0./s1