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ChemSpider Tools API

The ChemSpider Tools API provides chemical format conversion utilities, supporting conversions between SMILES, InChI, InChIKey, and Mol file formats. It also includes InChIKey validation. The tools are useful for cheminformatics pipelines that need to normalize chemical identifiers across different format conventions.

Documentation

Specifications

OpenAPI

rsc-chemspider-compounds-openapi.yml Raw ↑