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 N#Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1

InChI InChI=1S/C14H9NO3/c15-8-9-2-1-3-10(6-9)11-4-5-12(14(17)18)13(16)7-11/h1-7,16H,(H,17,18)

InChIKey RHFLIDBMUZLMSP-UHFFFAOYSA-N

Molecular Weight

239.23