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 Cc1cc(C)c(S(=O)(=O)NO)c(C)c1

InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3

InChIKey RRPKGUUYTHFUPN-UHFFFAOYSA-N

Molecular Weight

215.27