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 O=C(O)C1=C(C(=O)O)NC=CC1

InChI InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1,3,8H,2H2,(H,9,10)(H,11,12)

InChIKey SYHPGXUWPYJXOO-UHFFFAOYSA-N

Molecular Weight

169.14