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 CC1=C(NCCO)C(=O)c2ccccc2C1=O

InChI InChI=1S/C13H13NO3/c1-8-11(14-6-7-15)13(17)10-5-3-2-4-9(10)12(8)16/h2-5,14-15H,6-7H2,1H3

InChIKey IKXJMZTUOAVWRA-UHFFFAOYSA-N

Molecular Weight

231.25