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 CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCC3)cc21

InChI

InChI=1S/C19H23FN2O3/c1-2-3-7-22-12-14(19(24)25)18(23)13-10-15(20)17(11-16(13)22)21-8-5-4-6-9-21/h10-12H,2-9H2,1H3,(H,24,25)

InChIKey HOZSGYAJHGPPBQ-UHFFFAOYSA-N

Molecular Weight

346.4