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 COc1cc(Oc2nc[nH]c(=O)c2/C=C/C(C)=O)c(C(C)=O)cc1OC

InChI

InChI=1S/C18H18N2O6/c1-10(21)5-6-12-17(23)19-9-20-18(12)26-14-8-16(25-4)15(24-3)7-13(14)11(2)22/h5-9H,1-4H3,(H,19,20,23)/b6-5+

InChIKey MDESGINMMFGHJL-AATRIKPKSA-N

Molecular Weight

358.35