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 Cc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1

InChI

InChI=1S/C29H28O6/c1-17-6-8-20(9-7-17)14-25-26(30)23-11-10-22(15-24(23)34-25)33-16-21-12-18(2)27(19(3)13-21)35-29(4,5)28(31)32/h6-15H,16H2,1-5H3,(H,31,32)/b25-14-

InChIKey YABIQYKRBIJZIP-QFEZKATASA-N

Molecular Weight

472.54

Search this InChIKey in ChEMBL →