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 COc1cccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c1

InChI InChI=1S/C19H20O5/c1-21-12-7-5-6-11(8-12)13-9-15(20)14-10-16(22-2)18(23-3)19(24-4)17(13)14/h5-8,10,13H,9H2,1-4H3

InChIKey YKCIDBZNKNPMQE-UHFFFAOYSA-N

Molecular Weight

328.36