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 OC1(c2ccc(C(F)(F)F)c(Cl)c2)CCN(C2c3ccccc3-c3ccccc32)CC1

InChI

InChI=1S/C25H21ClF3NO/c26-22-15-16(9-10-21(22)25(27,28)29)24(31)11-13-30(14-12-24)23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-10,15,23,31H,11-14H2

InChIKey GJKZIYHJRDDOOV-UHFFFAOYSA-N

Molecular Weight

443.9