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\c2ccc(-c4ccccc4)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O

InChI

InChI=1S/C34H30O6/c1-21-16-24(17-22(2)32(21)40-34(3,4)33(36)37)20-38-27-14-15-28-29(19-27)39-30(31(28)35)18-23-10-12-26(13-11-23)25-8-6-5-7-9-25/h5-19H,20H2,1-4H3,(H,36,37)/b30-18-

InChIKey GXQBOOFNAQBFPW-YKQZZPSBSA-N

Molecular Weight

534.61

Search this InChIKey in ChEMBL →