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 CC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2c(=O)cc(C)oc12

InChI

InChI=1S/C23H25NO5/c1-11(2)28-23(27)20-14(5)24-13(4)19(15(6)25)21(20)17-9-7-8-16-18(26)10-12(3)29-22(16)17/h7-11,21,24H,1-6H3

InChIKey ZCFHOWPYJCIUIY-UHFFFAOYSA-N

Molecular Weight

395.46