Canonical SMILES

From Open Babel

Filename Extensions	can
Chemical MIME Type	chemical/x-daylight-smiles
Specification URL	http://www.daylight.com/smiles/f_smiles.html
Import	No
Export	Yes
Open Babel Version	2.1 and later

Options

A linear text format which can describe the connectivity and chirality of a molecule, and has a single "canonical" form for any particular molecule, regardless of atom order.
Write Options e.g. -xt
  i  Includes isotopic and chiral markings
  n  No molecule name
  t  Molecule name only

Additional Comments

See also, the "regular" SMILES format, which results in faster output, since no canonical numbering is performed.