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 CC(C)(C)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O

InChI InChI=1S/C19H18O5/c1-19(2,3)24-15-10-14-16(18(22)17(15)21)12(20)9-13(23-14)11-7-5-4-6-8-11/h4-10,21-22H,1-3H3

InChIKey HQLORQSFRBMAJZ-UHFFFAOYSA-N

Molecular Weight

326.35