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 COc1ccc(OCCCCCCCc2cc(C)no2)c(Cl)c1

InChI InChI=1S/C18H24ClNO3/c1-14-12-16(23-20-14)8-6-4-3-5-7-11-22-18-10-9-15(21-2)13-17(18)19/h9-10,12-13H,3-8,11H2,1-2H3

InChIKey CBDIJKFIVWMZGE-UHFFFAOYSA-N

Molecular Weight

337.85