OEMolToSmilesΒΆ

std::string OEMolToSmiles(const OEMolBase &mol)

Creates a canonical isomeric SMILES from a molecule by evoking the low-level OECreateSmiString function with the OESMILESFlag::ISOMERIC option.

Prior to generating the canonical isomeric SMILES the following properties are perceived if necessary:

See also