4-[4-(3-chloranylpropoxy)-3-iodanyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-chloranylpropoxy)-3-iodanyl-phenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-chloropropoxy)-3-iodo-phenyl]benzonitrile CAS Name: 4-[4-(3-chloropropoxy)-3-iodophenyl]benzonitrile IUPAC Name: 4-[4-(3-chloropropoxy)-3-iodophenyl]benzonitrile Traditional Name: 4-[4-(3-chloropropoxy)-3-iodo-phenyl]benzonitrile Formula: C16H13ClINO MolecularWeight: 397.63799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)OCCCCl)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)OCCCCl)I

InChI

InChI=1S/C16H13ClINO/c17-8-1-9-20-16-7-6-14(10-15(16)18)13-4-2-12(11-19)3-5-13/h2-7,10H,1,8-9H2