4-iodanyl-5-oct-1-ynyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-iodanyl-5-oct-1-ynyl-benzene-1,2-dicarbonitrile Openeye Name: 4-iodo-5-oct-1-ynyl-phthalonitrile CAS Name: 4-iodo-5-oct-1-ynylbenzene-1,2-dicarbonitrile IUPAC Name: 4-iodo-5-oct-1-ynylbenzene-1,2-dicarbonitrile Traditional Name: 4-iodo-5-oct-1-ynyl-phthalonitrile Formula: C16H15IN2 MolecularWeight: 362.20817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=C(C=C1I)C#N)C#N

Isomeric SMILES

CCCCCCC#CC1=CC(=C(C=C1I)C#N)C#N

InChI

InChI=1S/C16H15IN2/c1-2-3-4-5-6-7-8-13-9-14(11-18)15(12-19)10-16(13)17/h9-10H,2-6H2,1H3