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 COc1cc(C=O)c(-c2ccccc2)c2c1OCO2

InChI InChI=1S/C15H12O4/c1-17-12-7-11(8-16)13(10-5-3-2-4-6-10)15-14(12)18-9-19-15/h2-8H,9H2,1H3

InChIKey HMBQBNYBVPPXHU-UHFFFAOYSA-N

Molecular Weight

256.26