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 COc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1OC

InChI InChI=1S/C18H18O6/c1-22-16-9-12(10-17(23-2)18(16)24-3)13(19)6-4-11-5-7-14(20)15(21)8-11/h4-10,20-21H,1-3H3/b6-4+

InChIKey YRADLNGHQMLFDH-GQCTYLIASA-N

Molecular Weight

330.34