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 COC(=O)c1cc(OC)c(OC)c2oc3cc(C)ncc3c(=O)c12

InChI InChI=1S/C17H15NO6/c1-8-5-11-10(7-18-8)14(19)13-9(17(20)23-4)6-12(21-2)15(22-3)16(13)24-11/h5-7H,1-4H3

InChIKey DSIZIDLZALKUMH-UHFFFAOYSA-N

Molecular Weight

329.31