Key Capabilities
- Automatic CIP (R/S) Stereocenter Detection: Evaluates atomic numbers, multiple bonds, and neighbor spheres to determine and label (R) and (S) stereocenters automatically.
- Comprehensive Stereobond Palette: Solid wedges (up), hashed wedges (down), inverted wedges, inverted hashes, and wavy undefined bonds.
- Cis/Trans & E/Z Alkene Stereochemistry: Calculates alkene geometry from 2D coordinates to produce correct isomeric SMILES notation.
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