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 CCOC(=O)c1[nH]c(C)c(Cc2cc(OC)cc(OC)c2)c1C

InChI InChI=1S/C18H23NO4/c1-6-23-18(20)17-11(2)16(12(3)19-17)9-13-7-14(21-4)10-15(8-13)22-5/h7-8,10,19H,6,9H2,1-5H3

InChIKey TVFFWVWTQDAJTP-UHFFFAOYSA-N

Molecular Weight

317.39