4-methylbenzenesulfonate; phenyl-(2-phenylphenyl)iodanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl-(2-phenylphenyl)iodanium Openeye Name: 4-methylbenzenesulfonate; phenyl-(2-phenylphenyl)iodonium CAS Name: 4-methylbenzenesulfonate; phenyl-(2-phenylphenyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; phenyl-(2-phenylphenyl)iodanium Traditional Name: phenyl-(2-phenylphenyl)iodonium tosylate Formula: C25H21IO3S MolecularWeight: 528.40191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14I.C7H8O3S/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;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