1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-tert-butyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C16H18INO3 MolecularWeight: 399.22349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12COC(OC1)(OC2C#N)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)C12COC(OC1)(OC2C#N)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H18INO3/c1-14(2,3)15-9-19-16(20-10-15,21-13(15)8-18)11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3