SMILES notation for the pentavalent transition states?

23 July 2025 1 9K Report

Is there a SMILES notation to properly reflect chirality of the bonds in the chemical compounds corresponding to pentavalent transitions states?

Maryam Juma Yaseen

SMILES supports stable molecules, but not transient or transitional structures. Transitional structures are represented by a five-link pyramid that cannot be represented in your program, Gaussian. ORCA, Avogadro, Chimera, or Spartan are used to simulate and analyze these states accurately.

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