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 CC(C)(C)c1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1

InChI InChI=1S/C19H18O3/c1-19(2,3)13-6-4-12(5-7-13)17-11-16(21)15-9-8-14(20)10-18(15)22-17/h4-11,20H,1-3H3

InChIKey HRBWNPSPGFYOCQ-UHFFFAOYSA-N

Molecular Weight

294.35