{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://api.sigmaaldrich.com/schemas/product",
  "title": "SigmaAldrichProduct",
  "description": "Represents a research chemical, biochemical, or laboratory supply in the Sigma-Aldrich product catalog.",
  "type": "object",
  "required": ["catalogNumber", "name"],
  "properties": {
    "catalogNumber": {
      "type": "string",
      "description": "Sigma-Aldrich catalog number uniquely identifying this product"
    },
    "name": {
      "type": "string",
      "description": "Official product name"
    },
    "description": {
      "type": "string",
      "description": "Product description including key applications and specifications"
    },
    "brand": {
      "type": "string",
      "enum": ["Sigma", "Aldrich", "Fluka", "Supelco", "Honeywell", "Riedel-de Haën"],
      "description": "Sigma-Aldrich brand under which this product is sold"
    },
    "casNumber": {
      "type": "string",
      "pattern": "^\\d{1,7}-\\d{2}-\\d{1}$",
      "description": "Chemical Abstracts Service (CAS) Registry Number"
    },
    "formula": {
      "type": "string",
      "description": "Molecular formula using Hill notation (e.g., C2H6O for ethanol)"
    },
    "molecularWeight": {
      "type": "number",
      "minimum": 0,
      "description": "Molecular weight in g/mol"
    },
    "smiles": {
      "type": "string",
      "description": "Simplified Molecular Input Line Entry System (SMILES) notation"
    },
    "inchi": {
      "type": "string",
      "description": "IUPAC International Chemical Identifier (InChI)"
    },
    "inchiKey": {
      "type": "string",
      "pattern": "^[A-Z]{14}-[A-Z]{10}-[A-Z]$",
      "description": "Hashed InChI key for chemical structure identification"
    },
    "purity": {
      "type": "string",
      "description": "Purity specification (e.g., ≥99.5%, ACS reagent grade)"
    },
    "grade": {
      "type": "string",
      "description": "Product grade designation (e.g., ACS reagent, BioReagent, HPLC Plus, ReagentPlus)"
    },
    "synonyms": {
      "type": "array",
      "items": {
        "type": "string"
      },
      "description": "Alternative names, IUPAC names, and common names for the product"
    },
    "physicalState": {
      "type": "string",
      "enum": ["solid", "liquid", "gas"],
      "description": "Physical state at standard conditions (25°C, 1 atm)"
    },
    "packagingOptions": {
      "type": "array",
      "description": "Available package sizes and container types",
      "items": {
        "type": "object",
        "properties": {
          "packSize": {
            "type": "string",
            "description": "Package size (e.g., 100g, 500mL, 1kg)"
          },
          "packagingType": {
            "type": "string",
            "description": "Container type (e.g., glass bottle, ampule, vial, drum)"
          }
        }
      }
    }
  }
}