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 Cc1ccc2c(c1)[n+]([O-])c(C#N)c(-c1ccccc1)[n+]2[O-]

InChI InChI=1S/C16H11N3O2/c1-11-7-8-13-14(9-11)18(20)15(10-17)16(19(13)21)12-5-3-2-4-6-12/h2-9H,1H3

InChIKey IMAYRYRXLABKQX-UHFFFAOYSA-N

Molecular Weight

277.28