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 O=C(O)c1ccc(-c2cc(C(=O)O)ccn2)nc1

InChI InChI=1S/C12H8N2O4/c15-11(16)7-3-4-13-10(5-7)9-2-1-8(6-14-9)12(17)18/h1-6H,(H,15,16)(H,17,18)

InChIKey HYDLFVISOOYNGJ-UHFFFAOYSA-N

Molecular Weight

244.21