... (mol, csmol, smiles, ...) The following methods can be used to retrieve information on a structure: calcMolFormula, Calculates the formula of the molecule.
If you cannot find the Edit menu, then click on the upper left arrow in MarvinSketch, right click or double click the compound in MarvinView. Code : csmol , ...
structure _text = a Molecule in any of the following formats: mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf, csrdf, cml, smiles, cxsmiles, abbrevgroup, sybyl ...
molconvert('structure','format'). Copy. where. structure = a Molecule in any of the following formats. format = mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf ...
... molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocrCorrection. systematic, on, enable the conversion of systematic names. common, on, enable ...
... molecule was exported to Chemaxon compressed MOL format (CSMOL). SMILES ... documents including chemical names, and tripled on documents with few chemical names.