Calculating the number of isomers and coding for condensed polycyclic systems: Enumeration of the polybenzenes

A method is proposed for constructing a linear canonical code for planar condensed polycyclic hydrocarbons whose molecules consist of rings identical in size. The code reflects the shape of the skeleton. A constructive enumeration is performed for the structures of the isocyclic and isoperimetric polybenzenes containing up to 24 rings and 34 perimeter bonds in the molecule with allowance for structures that give rise to nonplanar molecules on account of steric hindrance.Translated from Teoreticheskaya i Éxperimental'naya Khimiya, Vol. 23, No. 1, pp. 54–61, January–February, 1987.