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 Cc1cc2c(n1S(=O)(=O)c1ccccc1)CCc1ccc(=O)sc1-2

InChI InChI=1S/C18H15NO3S2/c1-12-11-15-16(9-7-13-8-10-17(20)23-18(13)15)19(12)24(21,22)14-5-3-2-4-6-14/h2-6,8,10-11H,7,9H2,1H3

InChIKey WJDRSIZDGBXOJG-UHFFFAOYSA-N

Molecular Weight

357.46