4-methylbenzenesulfonate; 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyl-iodonium CAS Name: 4-methylbenzenesulfonate; 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyliodanium Traditional Name: 2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl-phenyl-iodonium tosylate Formula: C26H27IO4S MolecularWeight: 562.45965

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)C#C[I+]C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[C@H](C)COC1=CC=C(C=C1)C#C[I+]C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H20IO.C7H8O3S/c1-3-16(2)15-21-19-11-9-17(10-12-19)13-14-20-18-7-5-4-6-8-18;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,16H,3,15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t16-;/m0./s1