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 CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(Cl)c1C

InChI

InChI=1S/C18H20ClNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1

InChIKey PQCPVVBGHDVKFV-ROUUACIJSA-N

Molecular Weight

317.82