[(1S,3S,5S)-1-ethynyl-7-iodanyl-2-oxaspiro[2.4]hept-6-en-5-yl] 2,2-dimethylpropanoate

Systemtic Name: [(1S,3S,5S)-1-ethynyl-7-iodanyl-2-oxaspiro[2.4]hept-6-en-5-yl] 2,2-dimethylpropanoate Openeye Name: [(1S,3S,5S)-1-ethynyl-7-iodo-2-oxaspiro[2.4]hept-6-en-5-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S,3S,5S)-1-ethynyl-7-iodo-2-oxaspiro[2.4]hept-6-en-5-yl] ester IUPAC Name: [(1S,3S,5S)-1-ethynyl-7-iodo-2-oxaspiro[2.4]hept-6-en-5-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,3S,5S)-1-ethynyl-7-iodo-2-oxaspiro[2.4]hept-6-en-5-yl] ester Formula: C13H15IO3 MolecularWeight: 346.16087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1CC2(C(O2)C#C)C(=C1)I

Isomeric SMILES

CC(C)(C)C(=O)O[C@H]1C[C@]2([C@@H](O2)C#C)C(=C1)I

InChI

InChI=1S/C13H15IO3/c1-5-10-13(17-10)7-8(6-9(13)14)16-11(15)12(2,3)4/h1,6,8,10H,7H2,2-4H3/t8-,10+,13-/m1/s1