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 CC(C)(C)OC(=O)c1cc2c3cc(I)ccc3n(C(=O)OC(C)(C)C)c2cn1

InChI InChI=1S/C21H23IN2O4/c1-20(2,3)27-18(25)15-10-14-13-9-12(22)7-8-16(13)24(17(14)11-23-15)19(26)28-21(4,5)6/h7-11H,1-6H3

InChIKey ZKDCPFIORUSWFM-UHFFFAOYSA-N

Molecular Weight

494.33