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(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cn1

InChI InChI=1S/C18H20N2O4/c1-21-15-8-13(9-16(22-2)18(15)24-4)14(10-19)7-12-5-6-17(23-3)20-11-12/h5-6,8-9,11,14H,7H2,1-4H3

InChIKey WRVRBACKDYMCBR-UHFFFAOYSA-N

Molecular Weight

328.37