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 COCOc1c(C)cccc1OC(C)=O

InChI InChI=1S/C11H14O4/c1-8-5-4-6-10(15-9(2)12)11(8)14-7-13-3/h4-6H,7H2,1-3H3

InChIKey XKKGJWBONQHIEL-UHFFFAOYSA-N

Molecular Weight

210.23