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 COC(=O)c1cncn1[C@H](C)c1cccc(I)c1

InChI InChI=1S/C13H13IN2O2/c1-9(10-4-3-5-11(14)6-10)16-8-15-7-12(16)13(17)18-2/h3-9H,1-2H3/t9-/m1/s1

InChIKey OMZVIOPAJRTZGC-SECBINFHSA-N

Molecular Weight

356.16