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 CSc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1

InChI InChI=1S/C16H13ClO2S/c1-20-13-6-4-12(5-7-13)15(18)8-2-11-3-9-16(19)14(17)10-11/h2-10,19H,1H3/b8-2+

InChIKey IEOIMIMGAKYMNQ-KRXBUXKQSA-N

Molecular Weight

304.8