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)c1ccc2c(=O)c3ccccc3oc2c1

InChI InChI=1S/C14H8O4/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H,16,17)

InChIKey NXAIAURQPGLUAY-UHFFFAOYSA-N

Molecular Weight

240.21