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 COc1cccc2c1-c1ccc3c(c1C(C1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3

InChI

InChI=1S/C27H31NO2/c1-16-8-6-9-18(14-16)26-25-19(24-21(29-5)10-7-11-22(24)30-26)12-13-20-23(25)17(2)15-27(3,4)28-20/h7,10-15,18,26,28H,6,8-9H2,1-5H3

InChIKey ZOUVODOOOFQPOC-UHFFFAOYSA-N

Molecular Weight

401.55