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 Cn1cc2c(c1)-c1oc(=O)ccc1CC2

InChI InChI=1S/C12H11NO2/c1-13-6-9-3-2-8-4-5-11(14)15-12(8)10(9)7-13/h4-7H,2-3H2,1H3

InChIKey WNEJPCDCOTTWND-UHFFFAOYSA-N

Molecular Weight

201.22