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 CN1C(=O)c2ccccc2[C@@H]2[C@H]1C[C@H]2S(=O)(=O)F

InChI InChI=1S/C12H12FNO3S/c1-14-9-6-10(18(13,16)17)11(9)7-4-2-3-5-8(7)12(14)15/h2-5,9-11H,6H2,1H3/t9-,10-,11-/m1/s1

InChIKey HTBKPSGHUAXJJJ-GMTAPVOTSA-N

Molecular Weight

269.3