bis(2-phenylethynyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis(2-phenylethynyl)iodanium; 4-methylbenzenesulfonate Openeye Name: bis(2-phenylethynyl)iodonium; 4-methylbenzenesulfonate CAS Name: bis(2-phenylethynyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: bis(2-phenylethynyl)iodanium; 4-methylbenzenesulfonate Traditional Name: bis(2-phenylethynyl)iodonium tosylate Formula: C23H17IO3S MolecularWeight: 500.34875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C#C[I+]C#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C#C[I+]C#CC2=CC=CC=C2

InChI

InChI=1S/C16H10I.C7H8O3S/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1