Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES C/C(=C\c1ccc2ccccc2c1)C(=O)NO

InChI InChI=1S/C14H13NO2/c1-10(14(16)15-17)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-9,17H,1H3,(H,15,16)/b10-8+

InChIKey NPYWWIHEHONKOF-CSKARUKUSA-N

Molecular Weight

227.26