methanesulfonate; [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyl-iodanium

Systemtic Name: methanesulfonate; [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyl-iodanium Openeye Name: methanesulfonate; [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyl-iodonium CAS Name: methanesulfonate; [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyliodonium IUPAC Name: methanesulfonate; [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyliodanium Traditional Name: [(E)-2-methylsulfonyloxyhex-1-enyl]-phenyl-iodonium mesylate Formula: C14H21IO6S2 MolecularWeight: 476.34741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C[I+]C1=CC=CC=C1)OS(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC/C(=C\[I+]C1=CC=CC=C1)/OS(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H18IO3S.CH4O3S/c1-3-4-10-13(17-18(2,15)16)11-14-12-8-6-5-7-9-12;1-5(2,3)4/h5-9,11H,3-4,10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b13-11+;