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 CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1

InChI InChI=1S/C15H13N3O4S/c1-18(10-5-3-2-4-6-10)23(21,22)11-7-8-12-13(9-11)17-15(20)14(19)16-12/h2-9H,1H3,(H,16,19)(H,17,20)

InChIKey XRRQIPPJURUXPP-UHFFFAOYSA-N

Molecular Weight

331.35