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 Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc4ccccc4c2)C3=O)cc(C)c1OC(C)(C)C(=O)O

InChI

InChI=1S/C32H28O6/c1-19-13-22(14-20(2)30(19)38-32(3,4)31(34)35)18-36-25-11-12-26-27(17-25)37-28(29(26)33)16-21-9-10-23-7-5-6-8-24(23)15-21/h5-17H,18H2,1-4H3,(H,34,35)/b28-16-

InChIKey VFKTWKFVESBYTJ-NTFVMDSBSA-N

Molecular Weight

508.57

Search this InChIKey in ChEMBL →