SMILES format (smi, smiles) — Open Babel v2.3.0 documentation

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# SMILES format (smi, smiles)

A linear text format which can describe the connectivity and chirality of a molecule

OpenBabel implements the OpenSMILES specification.

It also implements an extension to this specification for radicals.

## Write Options

`a` | Output atomclass like [C:2], if available
`c` | Output in canonical form
`h` | Output explicit hydrogens as such
`i` | Do not include isotopic or chiral markings
`n` | No molecule name
`r` | Radicals lower case eg ethyl is Cc
`t` | Molecule name only
`x` | append X/Y coordinates in canonical-SMILES order
`C` | ‘anti-canonical’ random order (mostly for testing)

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