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 CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(O)c(O)c2)c1

InChI InChI=1S/C19H20O5/c1-3-23-14-7-10-19(24-4-2)15(12-14)16(20)8-5-13-6-9-17(21)18(22)11-13/h5-12,21-22H,3-4H2,1-2H3/b8-5+

InChIKey LGNHKEZPOMJCTP-VMPITWQZSA-N

Molecular Weight

328.36