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 O=c1c2c(O)c(I)c(O)cc2ncn1-c1ccc(O)cc1

InChI InChI=1S/C14H9IN2O4/c15-12-10(19)5-9-11(13(12)20)14(21)17(6-16-9)7-1-3-8(18)4-2-7/h1-6,18-20H

InChIKey FUWLQYUIXLVECC-UHFFFAOYSA-N

Molecular Weight

396.14