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(CC(=O)c2cc(O)c(C)c(C)c2O)cc1

InChI InChI=1S/C17H18O4/c1-10-11(2)17(20)14(9-15(10)18)16(19)8-12-4-6-13(21-3)7-5-12/h4-7,9,18,20H,8H2,1-3H3

InChIKey BAEUNZWBKXTKHE-UHFFFAOYSA-N

Molecular Weight

286.33