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 COc1cc2cc(C(=O)N3CCC=C(Cl)C3=O)cc(OC)c2c(OC)c1OC

InChI

InChI=1S/C20H20ClNO6/c1-25-14-10-12(19(23)22-7-5-6-13(21)20(22)24)8-11-9-15(26-2)17(27-3)18(28-4)16(11)14/h6,8-10H,5,7H2,1-4H3

InChIKey GBYSJVREIATANH-UHFFFAOYSA-N

Molecular Weight

405.83