InChi and InChiKey export options

    Export options

    Codename Explanation
    H, +H Add explicit Hydrogen atoms.
    -H Remove explicit Hydrogen atoms.
    Srel Force relative stereo.
    SAbs Force absolute stereo
    NEWPS Narrow end of wedge points to stereocenter (default: both)
    RecMet Include reconnected metals results
    FixedH Mobile H Perception Off (Default: On)
    AuxNone Omit auxiliary information (default: Include)
    NoADP Disable Aggressive Deprotonation (for testing only)
    Compress Compressed output
    DoNotAddH Don't add H according to usual valences: all H are explicit
    Key Exports the InChIKey as well
    Woff Do not display warnings

    See also