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

Systemtic Name: 3-methoxyprop-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: 3-methoxyprop-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: 3-methoxyprop-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: 3-methoxyprop-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: 3-methoxyprop-1-ynyl(phenyl)iodonium tosylate Formula: C17H17IO4S MolecularWeight: 444.28395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10IO.C7H8O3S/c1-12-9-5-8-11-10-6-3-2-4-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-7H,9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1