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 COc1ccc(/C=C/c2c(OC)ccc(OC)c2OC)c(OC)c1

InChI InChI=1S/C19H22O5/c1-20-14-8-6-13(18(12-14)23-4)7-9-15-16(21-2)10-11-17(22-3)19(15)24-5/h6-12H,1-5H3/b9-7+

InChIKey ICYLAFWPNFMVMB-VQHVLOKHSA-N

Molecular Weight

330.38