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 CCOC(=O)C(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C

InChI InChI=1S/C17H17NO4S3/c1-5-22-15(20)14(19)18-11-7-6-9(21-4)8-10(11)12-13(17(18,2)3)24-25-16(12)23/h6-8H,5H2,1-4H3

InChIKey MBAIJEGYSUBFHC-UHFFFAOYSA-N

Molecular Weight

395.53