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(C(=O)O)c(Nc2cc(C)cc(C)c2)c1

InChI InChI=1S/C16H17NO3/c1-10-6-11(2)8-12(7-10)17-15-9-13(20-3)4-5-14(15)16(18)19/h4-9,17H,1-3H3,(H,18,19)

InChIKey ZKKUXHWIBMYUGT-UHFFFAOYSA-N

Molecular Weight

271.32