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(S(=O)(=O)n2ccc(-c3ccc4c(c3)CCC(C)(C)O4)n2)cc1

InChI

InChI=1S/C21H22N2O4S/c1-21(2)12-10-16-14-15(4-9-20(16)27-21)19-11-13-23(22-19)28(24,25)18-7-5-17(26-3)6-8-18/h4-9,11,13-14H,10,12H2,1-3H3

InChIKey DYLGOXQLIURIPQ-UHFFFAOYSA-N

Molecular Weight

398.48