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 O=c1ccc2c(OCCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1

InChI

InChI=1S/C21H17ClO5/c22-14-3-5-15(6-4-14)24-10-1-2-11-26-21-16-7-8-20(23)27-19(16)13-18-17(21)9-12-25-18/h3-9,12-13H,1-2,10-11H2

InChIKey FVZIWWDONGSZLH-UHFFFAOYSA-N

Molecular Weight

384.82