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)c1cccc2c1Oc1ccccc1N=C2

InChI InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-5-10-9-16-12-7-2-3-8-13(12)19-14(10)11/h2-9H,1H3

InChIKey SDVPFOUQQWZGMJ-UHFFFAOYSA-N

Molecular Weight

253.26