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(C1CC1)C(c1ccccc1F)N1C(=O)S/C(=C\c2cccs2)C1=O

InChI

InChI=1S/C19H14FNO3S2/c20-14-6-2-1-5-13(14)16(17(22)11-7-8-11)21-18(23)15(26-19(21)24)10-12-4-3-9-25-12/h1-6,9-11,16H,7-8H2/b15-10-

InChIKey HEHVPUWZEHIONM-GDNBJRDFSA-N

Molecular Weight

387.46