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([C@@H]2c3cc4c(cc3[C@@H](OC)[C@@H](CO)[C@H]2CO)OCO4)cc(OC)c1OC

InChI

InChI=1S/C23H28O8/c1-26-19-5-12(6-20(27-2)23(19)29-4)21-13-7-17-18(31-11-30-17)8-14(13)22(28-3)16(10-25)15(21)9-24/h5-8,15-16,21-22,24-25H,9-11H2,1-4H3/t15-,16+,21-,22-/m1/s1

InChIKey HFJUEMBDVJWNHU-FHTPNYMGSA-N

Molecular Weight

432.47

Search this InChIKey in ChEMBL →