[2-(4-fluorophenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-fluorophenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-fluorophenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-fluorophenyl)ethynyl-phenyl-$l^{3}-iodanyl] ester IUPAC Name: [2-(4-fluorophenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-fluorophenyl)ethynyl-phenyl-iodinanyl] ester Formula: C21H16FIO3S MolecularWeight: 494.317813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C#CC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C#CC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H16FIO3S/c1-17-7-13-21(14-8-17)27(24,25)26-23(20-5-3-2-4-6-20)16-15-18-9-11-19(22)12-10-18/h2-14H,1H3