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 COc1ccccc1C(=O)OC1CC2CCCC1N2C

InChI InChI=1S/C16H21NO3/c1-17-11-6-5-8-13(17)15(10-11)20-16(18)12-7-3-4-9-14(12)19-2/h3-4,7,9,11,13,15H,5-6,8,10H2,1-2H3

InChIKey GTIIXPZNTSCOJU-UHFFFAOYSA-N

Molecular Weight

275.35