resolve_name
Convert any chemical identifier—name, abbreviation, condensed formula, or CAS number—into a detailed molecule descriptor with SMILES, formula, molecular weight, and IUPAC name, using a multi-tier resolution chain.
Instructions
Resolve any chemical identifier to a rich molecule descriptor.
Converts a name, abbreviation, condensed formula, or CAS number into a structured molecule dict with SMILES, formula, MW, exact mass, IUPAC name, reagent role, and display text. Uses a 4-tier resolution chain: curated reagent DB → condensed formula parser → ChemScript IUPAC → PubChem.
Do NOT hand-construct SMILES — use this tool instead. The returned dict can be passed directly to modify_molecule, draw_molecule, or used to build a render_scheme input.
Args: query: Chemical identifier — common name, IUPAC name, abbreviation, condensed formula (e.g. "PhB(OH)2"), or CAS number. Examples: "aspirin", "Cs2CO3", "2-chloropyridine", "534-17-8", "Et3N". use_network: Allow PubChem lookup (requires internet). Default True.
Returns: Dict with keys: ok, name, smiles, formula, mw, exact_mass, iupac_name, source (which tier resolved it), role (if in reagent DB), display_text, prefix_form (IUPAC substituent prefix, if applicable). Returns {ok: False, error: "..."} if unresolvable.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| query | Yes | ||
| use_network | No |