dec-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: dec-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: dec-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: dec-1-ynyl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: dec-1-ynyl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: dec-1-ynyl(phenyl)iodonium tosylate Formula: C23H29IO3S MolecularWeight: 512.44403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22I.C7H8O3S/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h9-11,13-14H,2-8H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1