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[nH]c(O)nc1C(=O)CCCCC(=O)O

InChI InChI=1S/C10H14N2O4/c1-6-9(12-10(16)11-6)7(13)4-2-3-5-8(14)15/h2-5H2,1H3,(H,14,15)(H2,11,12,16)

InChIKey QOKBZTDZIZMTMS-UHFFFAOYSA-N

Molecular Weight

226.23