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 CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Br)CCC3)cc1

InChI

InChI=1S/C24H29BrO5/c1-2-13-6-8-14(9-7-13)10-15-11-18(16-4-3-5-17(16)20(15)25)24-23(29)22(28)21(27)19(12-26)30-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/m1/s1

InChIKey MBLHCQNMEPIISC-ZXGKGEBGSA-N

Molecular Weight

477.4

Search this InChIKey in ChEMBL →