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(-c2oc(O)nc2-c2cc(OC)c(OC)c(OC)c2)cc1

InChI InChI=1S/C19H19NO6/c1-22-13-7-5-11(6-8-13)17-16(20-19(21)26-17)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,1-4H3,(H,20,21)

InChIKey RRBIWOBCLAJSST-UHFFFAOYSA-N

Molecular Weight

357.36