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 CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1

InChI InChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3

InChIKey XPIOXZHGLYQLNZ-UHFFFAOYSA-N

Molecular Weight

298.3