1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one

Systemtic Name: 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one Openeye Name: 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one CAS Name: 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one IUPAC Name: 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one Traditional Name: 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one Formula: C13H13IO2 MolecularWeight: 328.14559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CI1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)(C)C#CI1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H13IO2/c1-13(2,3)8-9-14-11-7-5-4-6-10(11)12(15)16-14/h4-7H,1-3H3