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 CCCCCCCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C

InChI

InChI=1S/C25H34N2O4/c1-5-7-8-9-10-11-14-31-18-12-13-21-19(15-18)23-20(17-29-4)24(25(28)30-6-2)26-16-22(23)27(21)3/h12-13,15-16H,5-11,14,17H2,1-4H3

InChIKey IGQFEMRJEXYUPV-UHFFFAOYSA-N

Molecular Weight

426.56