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 Cc1cc(C)cc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)c1

InChI

InChI=1S/C25H19NO2/c1-16-12-17(2)14-19(13-16)26-15-21(18-8-4-3-5-9-18)23-24(26)20-10-6-7-11-22(20)28-25(23)27/h3-15H,1-2H3

InChIKey DIDRLTMFZKWKSA-UHFFFAOYSA-N

Molecular Weight

365.43