(2-iodanyl-3-oxidanylidene-cyclohexen-1-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (2-iodanyl-3-oxidanylidene-cyclohexen-1-yl)methyl 2,2-dimethylpropanoate Openeye Name: (2-iodo-3-oxo-cyclohexen-1-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (2-iodo-3-oxo-1-cyclohexenyl)methyl ester IUPAC Name: (2-iodo-3-oxocyclohexen-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-iodo-3-keto-cyclohexen-1-yl)methyl ester Formula: C12H17IO3 MolecularWeight: 336.16605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=C(C(=O)CCC1)I

Isomeric SMILES

CC(C)(C)C(=O)OCC1=C(C(=O)CCC1)I

InChI

InChI=1S/C12H17IO3/c1-12(2,3)11(15)16-7-8-5-4-6-9(14)10(8)13/h4-7H2,1-3H3