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 C=CC(=O)N(C)Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2

InChI

InChI=1S/C21H20F3NO4/c1-3-19(27)25(2)11-14-10-17(20-16(8-9-28-20)18(14)12-26)13-4-6-15(7-5-13)29-21(22,23)24/h3-7,10,26H,1,8-9,11-12H2,2H3

InChIKey JRNWBFIHIFCYKC-UHFFFAOYSA-N

Molecular Weight

407.39