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 Cc1ccc(S(=O)(=O)n2cc([N+](=O)[O-])nc2C)cc1

InChI InChI=1S/C11H11N3O4S/c1-8-3-5-10(6-4-8)19(17,18)13-7-11(14(15)16)12-9(13)2/h3-7H,1-2H3

InChIKey NLXPVIKTNJNWOY-UHFFFAOYSA-N

Molecular Weight

281.29