The compound with the SMILES O=C1OC(=O)c2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc21 has a nuclear repulsion energy at the PBE level of theory of 866.16722 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {nuclearRepulsionEnergy__names__noun} of {nuclearRepulsionEnergy#} {nuclearRepulsionEnergy__units}.