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 CC(=O)c1cccc(Nc2ccc(C(C)=O)cc2C(=O)O)c1

InChI InChI=1S/C17H15NO4/c1-10(19)12-4-3-5-14(8-12)18-16-7-6-13(11(2)20)9-15(16)17(21)22/h3-9,18H,1-2H3,(H,21,22)

InChIKey XLDOWLBJUYHPKG-UHFFFAOYSA-N

Molecular Weight

297.31