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 Oc1ccc(-c2nc3cc(O)c(O)cc3s2)cc1

InChI InChI=1S/C13H9NO3S/c15-8-3-1-7(2-4-8)13-14-9-5-10(16)11(17)6-12(9)18-13/h1-6,15-17H

InChIKey FQCVSOVXLLHFAP-UHFFFAOYSA-N

Molecular Weight

259.29