[3,3-dimethylbut-1-ynyl(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-dimethylbut-1-ynyl(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [3,3-dimethylbut-1-ynyl(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-dimethylbut-1-ynyl(phenyl)-$l^{3}-iodanyl] ester IUPAC Name: [3,3-dimethylbut-1-ynyl(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,3-dimethylbut-1-ynyl(phenyl)iodinanyl] ester Formula: C19H21IO3S MolecularWeight: 456.33771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IO3S/c1-16-10-12-18(13-11-16)24(21,22)23-20(15-14-19(2,3)4)17-8-6-5-7-9-17/h5-13H,1-4H3