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 OC1(c2cccs2)CN2CCC1CC2

InChI InChI=1S/C11H15NOS/c13-11(10-2-1-7-14-10)8-12-5-3-9(11)4-6-12/h1-2,7,9,13H,3-6,8H2

InChIKey ZKPUVCWMJJDKRD-UHFFFAOYSA-N

Molecular Weight

209.31