1-iodanylprop-1-yne; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile

Systemtic Name: 1-iodanylprop-1-yne; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Openeye Name: 1-iodoprop-1-yne; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile CAS Name: 1-iodo-1-propyne; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile IUPAC Name: 1-iodoprop-1-yne; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Traditional Name: 1-iodoprop-1-yne; 2-keto-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Formula: C11H6INO2 MolecularWeight: 311.07531

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Descriptors Computed from Structure

Canonical SMILES:

CC#CI.C1=CC2=C(C=C1C(=O)O2)C#N

Isomeric SMILES

CC#CI.C1=CC2=C(C=C1C(=O)O2)C#N

InChI

InChI=1S/C8H3NO2.C3H3I/c9-4-6-3-5-1-2-7(6)11-8(5)10;1-2-3-4/h1-3H;1H3