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 CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3

InChI

InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3

InChIKey YXPFGIHHVMUHLF-UHFFFAOYSA-N

Molecular Weight

422.36