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 COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(OCC3CC3)C[C@H]1C)C2=O

InChI

InChI=1S/C20H21ClO6/c1-10-6-12(26-9-11-4-5-11)7-15(22)20(10)19(23)16-13(24-2)8-14(25-3)17(21)18(16)27-20/h7-8,10-11H,4-6,9H2,1-3H3/t10-,20+/m1/s1

InChIKey FJCBUABDYILSBA-SBKAZYGRSA-N

Molecular Weight

392.84