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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C2COC(O1)(OC2)C3=CC=C(C=C3)I)C#N

Isomeric SMILES

CC(C)(C)C1(C2COC(O1)(OC2)C3=CC=C(C=C3)I)C#N

InChI

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