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 O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O

InChI

InChI=1S/C18H13NO4S/c20-16(21)11-19-17(22)15(24-18(19)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10+

InChIKey ZXXVENFPNGUFKS-XNTDXEJSSA-N

Molecular Weight

339.37