covabasic_iupac_name
Get the IUPAC name of a structure — generating one when it is unknown to any database.
Two sources, tried in order, and the response always says which one answered:
- `source="pubchem"` — the curated, human-checked IUPAC name. Authoritative,
but only exists for compounds PubChem indexes.
- `source="openclatura"` — a name constructed from the molecular graph by a
deterministic IUPAC Blue Book (2013) rule engine. Works on any valid
structure, including novel compounds, intermediates and analogues.
Parameters:
prefer_pubchem — check PubChem first (default true). Set false to force
generation, or to keep the call purely offline and ~100x faster: the
rule engine takes ~5 ms, the PubChem round-trip 0.6-1 s.
explain — also return `rules_hit`, the Blue Book rules that fired
(e.g. P-44, P-61). Costs ~5x the naming time; off by default.
verify — round-trip the generated name through OPSIN and report whether it
parses back to the same structure. Needs a Java runtime; without one the
result reports `verification="skipped_no_java"` instead of failing.
Returns: `{name, smiles, source, generated, engine}` (+ `rules_hit`,
`verification` when requested), or `{error, smiles}`.
A generated name is a systematic construction, not a database record —
treat `generated=true` accordingly.Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | ||
| verify | No | ||
| api_key | No | ||
| explain | No | ||
| prefer_pubchem | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |