3-ethoxyprop-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethoxyprop-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: 3-ethoxyprop-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: 3-ethoxyprop-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: 3-ethoxyprop-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: 3-ethoxyprop-1-ynyl(phenyl)iodonium tosylate Formula: C18H19IO4S MolecularWeight: 458.31053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12IO.C7H8O3S/c1-2-13-10-6-9-12-11-7-4-3-5-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8H,2,10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1