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 CCCOC(=O)C1C(C(=O)O)C2CC[C@H]1O2

InChI InChI=1S/C11H16O5/c1-2-5-15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h6-9H,2-5H2,1H3,(H,12,13)/t6?,7-,8?,9?/m1/s1

InChIKey NTZUGGMOGMTBFK-LDIRUYLGSA-N

Molecular Weight

228.24