4-methylbenzenesulfonate; phenyl-(4-prop-2-enoxyphenyl)iodanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl-(4-prop-2-enoxyphenyl)iodanium Openeye Name: (4-allyloxyphenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; phenyl-(4-prop-2-enoxyphenyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; phenyl-(4-prop-2-enoxyphenyl)iodanium Traditional Name: (4-allyloxyphenyl)-phenyl-iodonium tosylate Formula: C22H21IO4S MolecularWeight: 508.36921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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