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=C(O)c1csc(-c2ccc(OC(F)F)c3oc4ccc(C(F)(F)F)cc4c23)n1

InChI

InChI=1S/C18H8F5NO4S/c19-17(20)28-12-4-2-8(15-24-10(6-29-15)16(25)26)13-9-5-7(18(21,22)23)1-3-11(9)27-14(12)13/h1-6,17H,(H,25,26)

InChIKey VSGHBEYVMCNWEH-UHFFFAOYSA-N

Molecular Weight

429.32