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 Cc1cc(-c2cc3ccc(O)cc3s2)ccc1O

InChI InChI=1S/C15H12O2S/c1-9-6-10(3-5-13(9)17)14-7-11-2-4-12(16)8-15(11)18-14/h2-8,16-17H,1H3

InChIKey NEUUJMRQZLDXTH-UHFFFAOYSA-N

Molecular Weight

256.33