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=S(=O)(Nc1ccc(O)c(O)c1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1

InChI InChI=1S/C18H15NO8S/c20-12-3-1-9(5-14(12)22)11-7-16(24)17(25)8-18(11)28(26,27)19-10-2-4-13(21)15(23)6-10/h1-8,19-25H

InChIKey FRCXHDDSXYTRGS-UHFFFAOYSA-N

Molecular Weight

405.38