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 COC(=O)[C@H](C)NC(=O)[C@H](C)n1sc2ccccc2c1=O

InChI InChI=1S/C14H16N2O4S/c1-8(14(19)20-3)15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)21-16/h4-9H,1-3H3,(H,15,17)/t8-,9-/m0/s1

InChIKey DOLBKLOJGXBMRB-IUCAKERBSA-N

Molecular Weight

308.36