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 CCCCCC/C=C/c1ccc(CO[C@H]2CN[C@H](CO)C2)cc1.Cl

InChI

InChI=1S/C20H31NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)16-23-20-13-19(15-22)21-14-20;/h7-12,19-22H,2-6,13-16H2,1H3;1H/b8-7+;/t19-,20+;/m0./s1

InChIKey UYZIXRDTYWRTNG-FOOKYUPFSA-N

Molecular Weight

353.93