Intern PubChem Name Conversion

Convert one molecular representation into all three fields:

• - INLINECODE0
• INLINECODE1
• INLINECODE2

When to use

Use this skill when the user asks to:

• - convert IUPAC <-> SMILES
• fetch molecular formula from IUPAC/SMILES
• validate molecule identity against PubChem

Do not use this skill for:

• - reaction mechanism explanation
• quantum chemistry simulation
• docking or property prediction beyond PubChem identifiers

Input contract

Expect one input value and one type:

• - input_type: iupac or INLINECODE5
• INLINECODE6: raw string

If the user gives only one string without type:

• - treat strings with many bond symbols (=, #, [, ], @) as INLINECODE12
• otherwise treat as iupac/name query

Required behavior

Always query PubChem first. Do not answer from memory when tools are available.

1) URL-encode the full input string:

CODEBLOCK0

2) Build the primary endpoint:

• - If input_type == iupac:

• - If input_type == smiles:

3) If smiles primary endpoint is non-200, retry once with:

• - INLINECODE19

4) If still non-200, do CID fallback:

• - Resolve CID:

• - Then fetch properties by CID:

5) Parse PropertyTable.Properties[0] and map:

• - smiles <- SMILES (fallback ConnectivitySMILES)
• INLINECODE26
• INLINECODE27

Output format

Return JSON only (no markdown fences, no extra prose):

CODEBLOCK1

If all attempts fail, still return the same schema with empty strings:

CODEBLOCK2

Quality rules

• - Keep PubChem values verbatim; do not rewrite or normalize names.
• If multiple records are returned, use the first record consistently.
• Do not silently swap stereochemistry markers.