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 COc1c2c(cc(C=O)c1-c1ccccc1C=O)OCO2

InChI InChI=1S/C16H12O5/c1-19-16-14(12-5-3-2-4-10(12)7-17)11(8-18)6-13-15(16)21-9-20-13/h2-8H,9H2,1H3

InChIKey RDFHYRIFSRVGLA-UHFFFAOYSA-N

Molecular Weight

284.27