2-[6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethynylbenzene

Systemtic Name: 2-[6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethynylbenzene Openeye Name: 2-[6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethynylbenzene CAS Name: 2-[6-(2-phenylethynyl)-1-cyclohexa-2,4-dienyl]ethynylbenzene IUPAC Name: 2-[6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethynylbenzene Traditional Name: 2-[6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethynylbenzene Formula: C22H16 MolecularWeight: 280.36244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C=CC=CC2C#CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C=CC=CC2C#CC3=CC=CC=C3

InChI

InChI=1S/C22H16/c1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(21)18-16-20-11-5-2-6-12-20/h1-14,21-22H