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

Systemtic Name: [phenyl(2-phenylethynyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [phenyl(2-phenylethynyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [phenyl(2-phenylethynyl)-$l^{3}-iodanyl] ester IUPAC Name: [phenyl(2-phenylethynyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [phenyl(2-phenylethynyl)iodinanyl] ester Formula: C21H17IO3S MolecularWeight: 476.32735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17IO3S/c1-18-12-14-21(15-13-18)26(23,24)25-22(20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,1H3