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OpenAPI Specification

openapi: 3.2.0
info:
  title: RSC ChemSpider Compounds Tools API
  description: The RSC ChemSpider Compounds API provides programmatic access to the ChemSpider chemical database, which contains over 88 million unique chemical compounds.
  version: '1'
  contact:
    name: RSC Developer Support
    url: https://developer.rsc.org/
  termsOfService: https://www.rsc.org/legal/
servers:
- url: https://api.rsc.org/compounds/v1
  description: ChemSpider Production API
tags:
- name: Tools
  description: Chemical format conversion and validation utilities.
paths:
  /tools/convert:
    post:
      operationId: convertChemicalFormat
      summary: Convert Chemical Format
      description: 'Convert a chemical identifier from one format to another. Supported input/output formats include SMILES, InChI, InChIKey, and Mol. Valid conversion pairs include: InChI to InChIKey, InChI to Mol, InChI to SMILES, InChIKey to InChI, InChIKey to Mol, Mol to InChI, Mol to InChIKey, and SMILES to InChI.'
      tags:
      - Tools
      requestBody:
        required: true
        content:
          application/json:
            schema:
              type: object
              required:
              - input
              - inputFormat
              - outputFormat
              properties:
                input:
                  type: string
                  description: The chemical identifier to convert
                inputFormat:
                  type: string
                  description: Input format of the identifier
                  enum:
                  - SMILES
                  - InChI
                  - InChIKey
                  - Mol
                outputFormat:
                  type: string
                  description: Desired output format
                  enum:
                  - SMILES
                  - InChI
                  - InChIKey
                  - Mol
      responses:
        '200':
          description: Converted chemical identifier
          content:
            application/json:
              schema:
                type: object
                properties:
                  output:
                    type: string
                    description: The converted chemical identifier
        '400':
          description: Invalid input or unsupported conversion
        '401':
          description: Unauthorized
      security:
      - apiKeyAuth: []
  /tools/validate/inchikey:
    post:
      operationId: validateInchikey
      summary: Validate InChIKey
      description: Validate whether a given string is a correctly formed InChIKey. Returns a boolean indicating validity.
      tags:
      - Tools
      requestBody:
        required: true
        content:
          application/json:
            schema:
              type: object
              required:
              - inchikey
              properties:
                inchikey:
                  type: string
                  description: The InChIKey string to validate
      responses:
        '200':
          description: Validation result
          content:
            application/json:
              schema:
                type: object
                properties:
                  valid:
                    type: boolean
                    description: Whether the InChIKey is valid
        '401':
          description: Unauthorized
      security:
      - apiKeyAuth: []
components:
  securitySchemes:
    apiKeyAuth:
      type: apiKey
      in: header
      name: apikey
      description: API key obtained from the RSC Developer Portal at developer.rsc.org. Register and create an application to receive an API key.