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 Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)no1

InChI InChI=1S/C15H11ClN2O5/c1-8-6-13(18-23-8)17-15(20)12-4-5-14(22-12)21-11-3-2-9(16)7-10(11)19/h2-7,19H,1H3,(H,17,18,20)

InChIKey RGPLABHTYVGWKB-UHFFFAOYSA-N

Molecular Weight

334.72