2-methylbenzenesulfonate; phenyl-(2-prop-2-enoxyphenyl)iodanium

Systemtic Name: 2-methylbenzenesulfonate; phenyl-(2-prop-2-enoxyphenyl)iodanium Openeye Name: (2-allyloxyphenyl)-phenyl-iodonium; 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonate; phenyl-(2-prop-2-enoxyphenyl)iodonium IUPAC Name: 2-methylbenzenesulfonate; phenyl-(2-prop-2-enoxyphenyl)iodanium Traditional Name: (2-allyloxyphenyl)-phenyl-iodonium; 2-methylbesylate Formula: C22H21IO4S MolecularWeight: 508.36921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C=CCOC1=CC=CC=C1[I+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C=CCOC1=CC=CC=C1[I+]C2=CC=CC=C2

InChI

InChI=1S/C15H14IO.C7H8O3S/c1-2-12-17-15-11-7-6-10-14(15)16-13-8-4-3-5-9-13;1-6-4-2-3-5-7(6)11(8,9)10/h2-11H,1,12H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1