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 Cl.NCC(=O)[C@@H]1CCC[C@H]1C(=O)O

InChI InChI=1S/C8H13NO3.ClH/c9-4-7(10)5-2-1-3-6(5)8(11)12;/h5-6H,1-4,9H2,(H,11,12);1H/t5-,6-;/m1./s1

InChIKey QALRCZZLZWMYQG-KGZKBUQUSA-N

Molecular Weight

207.66