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=C1/C(=C/c2ccc(O)cc2O)OC(=S)N1c1ccccc1

InChI InChI=1S/C16H11NO4S/c18-12-7-6-10(13(19)9-12)8-14-15(20)17(16(22)21-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-8-

InChIKey OCMPNCXUMRBJNE-ZSOIEALJSA-N

Molecular Weight

313.33