Descriptors computed from structure about 1,5-Hexadien-3-Yne(CAS NO.821-08-9) are: Canonical SMILES: C=CC#CC=C InChI: InChI=1S/C6H6/c1-3-5-6-4-2/h3-4H,1-2H2 InChIKey: AUBDSFLQOBEOPX-UHFFFAOYSA-N