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 C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F

InChI InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3/t8-/m1/s1

InChIKey ISJKPUWGGXLQCI-MRVPVSSYSA-N

Molecular Weight

308.26