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(CCOC2CCCCC2)cc1

InChI

InChI=1S/C20H33NO3/c1-16(2)21-14-18(22)15-24-20-10-8-17(9-11-20)12-13-23-19-6-4-3-5-7-19/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3

InChIKey PDZZIEFEMVIIPQ-UHFFFAOYSA-N

Molecular Weight

335.49