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 CC(=O)/C=C/c1c(Oc2c(Cl)cccc2Cl)nc[nH]c1=O

InChI InChI=1S/C14H10Cl2N2O3/c1-8(19)5-6-9-13(20)17-7-18-14(9)21-12-10(15)3-2-4-11(12)16/h2-7H,1H3,(H,17,18,20)/b6-5+

InChIKey NLDRNMZETXSGEG-AATRIKPKSA-N

Molecular Weight

325.15