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

Systemtic Name: 4-(4-iodophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-(4-iodophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-(4-iodophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-(4-iodophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-(4-iodophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C15H16INO3 MolecularWeight: 385.19691

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12COC(OC1)(OC2C#N)C3=CC=C(C=C3)I

Isomeric SMILES

CCCC12COC(OC1)(OC2C#N)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H16INO3/c1-2-7-14-9-18-15(19-10-14,20-13(14)8-17)11-3-5-12(16)6-4-11/h3-6,13H,2,7,9-10H2,1H3