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 CCOC1OC(=O)[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1

InChI InChI=1S/C10H14O4/c1-2-12-10-8-6-4-3-5(13-6)7(8)9(11)14-10/h5-8,10H,2-4H2,1H3/t5-,6+,7-,8+,10?/m1/s1

InChIKey PWPOIJNVVZDGIH-VITGYUQNSA-N

Molecular Weight

198.22