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(-c2coc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1O

InChI InChI=1S/C19H19NO7/c1-23-15-6-5-11(7-14(15)21)13-10-27-19(22)20(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10,21H,1-4H3

InChIKey KWYRQMYACXXRMI-UHFFFAOYSA-N

Molecular Weight

373.36