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 COC(=O)c1cc2c(c(OC)c1-c1ccccc1C=O)OCO2

InChI InChI=1S/C17H14O6/c1-20-16-14(11-6-4-3-5-10(11)8-18)12(17(19)21-2)7-13-15(16)23-9-22-13/h3-8H,9H2,1-2H3

InChIKey LFFGFPIYJUTALE-UHFFFAOYSA-N

Molecular Weight

314.29