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)NCC(O)COc1ccc(CCSCC2CCC2)cc1

InChI

InChI=1S/C19H31NO2S/c1-15(2)20-12-18(21)13-22-19-8-6-16(7-9-19)10-11-23-14-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3

InChIKey RMBHCLXFPKGGOX-UHFFFAOYSA-N

Molecular Weight

337.53