4-methylbenzenesulfonate; [(E)-2-(4-methylphenyl)sulfonyloxyethenyl]-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; [(E)-2-(4-methylphenyl)sulfonyloxyethenyl]-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; phenyl-[(E)-2-(p-tolylsulfonyloxy)vinyl]iodonium CAS Name: 4-methylbenzenesulfonate; [(E)-2-(4-methylphenyl)sulfonyloxyethenyl]-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; [(E)-2-(4-methylphenyl)sulfonyloxyethenyl]-phenyliodanium Traditional Name: phenyl-[(E)-2-tosyloxyvinyl]iodonium tosylate Formula: C22H21IO6S2 MolecularWeight: 572.43301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14IO3S.C7H8O3S/c1-13-7-9-15(10-8-13)20(17,18)19-12-11-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-11+;