[(4E)-5-(2-phenylethynyl)octa-1,4,7-trien-4-yl]benzene

Systemtic Name: [(4E)-5-(2-phenylethynyl)octa-1,4,7-trien-4-yl]benzene Openeye Name: [(1E)-1-allyl-2-(2-phenylethynyl)penta-1,4-dienyl]benzene CAS Name: [(4E)-5-(2-phenylethynyl)octa-1,4,7-trien-4-yl]benzene IUPAC Name: [(4E)-5-(2-phenylethynyl)octa-1,4,7-trien-4-yl]benzene Traditional Name: [(1E)-1-allyl-2-(2-phenylethynyl)penta-1,4-dienyl]benzene Formula: C22H20 MolecularWeight: 284.3942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=C(CC=C)C1=CC=CC=C1)C#CC2=CC=CC=C2

Isomeric SMILES

C=CC/C(=C(/CC=C)\C1=CC=CC=C1)/C#CC2=CC=CC=C2

InChI

InChI=1S/C22H20/c1-3-11-20(18-17-19-13-7-5-8-14-19)22(12-4-2)21-15-9-6-10-16-21/h3-10,13-16H,1-2,11-12H2/b22-20+