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 CNCC[C@@H](Oc1cccc2sc(F)cc12)c1ccccc1

InChI

InChI=1S/C18H18FNOS/c1-20-11-10-15(13-6-3-2-4-7-13)21-16-8-5-9-17-14(16)12-18(19)22-17/h2-9,12,15,20H,10-11H2,1H3/t15-/m1/s1

InChIKey XRNUTAPACJFQQW-OAHLLOKOSA-N

Molecular Weight

315.41