2-[hex-1-ynyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid

Systemtic Name: 2-[hex-1-ynyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid Openeye Name: 2-[hex-1-ynyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid CAS Name: 2-[hex-1-ynyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid IUPAC Name: 2-[hex-1-ynyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]benzoic acid Traditional Name: 2-[hex-1-ynyl(triflyloxy)iodinanyl]benzoic acid Formula: C14H14F3IO5S MolecularWeight: 478.22264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CI(C1=CC=CC=C1C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC#CI(C1=CC=CC=C1C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H14F3IO5S/c1-2-3-4-7-10-18(23-24(21,22)14(15,16)17)12-9-6-5-8-11(12)13(19)20/h5-6,8-9H,2-4H2,1H3,(H,19,20)