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=C(O)Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1

InChI InChI=1S/C14H8BrI3O4/c15-8-1-6(3-12(19)20)2-11(18)14(8)22-7-4-9(16)13(21)10(17)5-7/h1-2,4-5,21H,3H2,(H,19,20)

InChIKey KTERKZCXUGODHD-UHFFFAOYSA-N

Molecular Weight

700.83