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=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(CO)o1

InChI

InChI=1S/C18H15FO4/c1-10-15(7-12-3-4-13(9-20)23-12)14-5-2-11(19)6-17(14)16(10)8-18(21)22/h2-7,20H,8-9H2,1H3,(H,21,22)/b15-7-

InChIKey JPTQPZIPDXUKGD-CHHVJCJISA-N

Molecular Weight

314.31