4,5-bis(pent-1-ynyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(pent-1-ynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(pent-1-ynyl)phthalonitrile CAS Name: 4,5-bis(pent-1-ynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(pent-1-ynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(pent-1-ynyl)phthalonitrile Formula: C18H16N2 MolecularWeight: 260.33304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=C(C=C1C#CCCC)C#N)C#N

Isomeric SMILES

CCCC#CC1=CC(=C(C=C1C#CCCC)C#N)C#N

InChI

InChI=1S/C18H16N2/c1-3-5-7-9-15-11-17(13-19)18(14-20)12-16(15)10-8-6-4-2/h11-12H,3-6H2,1-2H3