InChi and InChiKey export options

    Export options

    Codename Explanation
    H, +H Add explicit Hydrogen atoms.
    -H Remove explicit Hydrogen atoms.
    Tf1:f2... Exports molecule properties with key f1, f2, ... The keys are separated wit : character. T* exports all fields. Only for single line results, see AuxNone option
    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
    NoWarnings Do not display warnings
    Woff Depricated from version 19.11, use NoWarnings instead

    See also