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 COc1cc(C(=O)OCc2c(OC(C)C)ccc3c(C)cc(=O)oc23)cc(OC)c1OC

InChI

InChI=1S/C24H26O8/c1-13(2)31-18-8-7-16-14(3)9-21(25)32-22(16)17(18)12-30-24(26)15-10-19(27-4)23(29-6)20(11-15)28-5/h7-11,13H,12H2,1-6H3

InChIKey KIMFKSRNKGHGLK-UHFFFAOYSA-N

Molecular Weight

442.46