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 Cn1cc(O)c(=O)cc1/C=C/c1ccc(O)cc1

InChI InChI=1S/C14H13NO3/c1-15-9-14(18)13(17)8-11(15)5-2-10-3-6-12(16)7-4-10/h2-9,16,18H,1H3/b5-2+

InChIKey DYARQEIYBFDDHS-GORDUTHDSA-N

Molecular Weight

243.26