OPSIN Name To Structure
Convert a systematic (IUPAC) chemical name into a chemical structure using OPSIN, a deterministic grammar-based name parser hosted by EMBL-EBI. Returns SMILES, standard InChI, and standard InChIKey. Unlike a database name-lookup (e.g. Cactus/PubChem), OPSIN parses the name itself, so it resolves novel or uncommon systematic names that are absent from compound databases. Input must be a systematic/IUPAC name (e.g. '2-acetoxybenzoic acid', 'ethyl 4-aminobenzoate'); trade names and trivial names (…
Overview
Convert a systematic (IUPAC) chemical name into a chemical structure using OPSIN, a deterministic grammar-based name parser hosted by EMBL-EBI. Returns SMILES, standard InChI, and standard InChIKey. Unlike a database name-lookup (e.g. Cactus/PubChem), OPSIN parses the name itself, so it resolves novel or uncommon systematic names that are absent from compound databases. Input must be a systematic/IUPAC name (e.g. '2-acetoxybenzoic acid', 'ethyl 4-aminobenzoate'); trade names and trivial names (e.g. 'aspirin', 'Tylenol') are not parseable and return parsed=false. No API key required.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default OPSIN Name To Structure call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_OPSIN_name_to_structure
- Tool name
- OPSIN_name_to_structure
- Added
- 2026-07-29 18:13Z
- Tags
- tooluniverse