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 COc1ccc2c(=O)c(OC(=O)C(C)(C)C)c(-c3ccc4c(c3)OCO4)oc2c1

InChI

InChI=1S/C22H20O7/c1-22(2,3)21(24)29-20-18(23)14-7-6-13(25-4)10-16(14)28-19(20)12-5-8-15-17(9-12)27-11-26-15/h5-10H,11H2,1-4H3

InChIKey OGROZUSTUBXVGO-UHFFFAOYSA-N

Molecular Weight

396.4