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 Cc1ccc(S(=O)(=O)SCc2ccc(OC(F)(F)F)cc2)cc1

InChI InChI=1S/C15H13F3O3S2/c1-11-2-8-14(9-3-11)23(19,20)22-10-12-4-6-13(7-5-12)21-15(16,17)18/h2-9H,10H2,1H3

InChIKey QHMDDZOOLIQIDD-UHFFFAOYSA-N

Molecular Weight

362.39