4-methylbenzenesulfonate; (4-phenoxyphenyl)-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; (4-phenoxyphenyl)-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; (4-phenoxyphenyl)-phenyl-iodonium CAS Name: 4-methylbenzenesulfonate; (4-phenoxyphenyl)-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; (4-phenoxyphenyl)-phenyliodanium Traditional Name: (4-phenoxyphenyl)-phenyl-iodonium tosylate Formula: C25H21IO4S MolecularWeight: 544.40131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OC2=CC=C(C=C2)[I+]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OC2=CC=C(C=C2)[I+]C3=CC=CC=C3

InChI

InChI=1S/C18H14IO.C7H8O3S/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)20-17-9-5-2-6-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-14H;2-5H,1H3,(H,8,9,10)/q+1;/p-1