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 CCCCCCCCCC1(c2ccccc2)NC(=O)NC1=O

InChI

InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-14-18(15-12-9-8-10-13-15)16(21)19-17(22)20-18/h8-10,12-13H,2-7,11,14H2,1H3,(H2,19,20,21,22)

InChIKey YDNZJQWFOGASIE-UHFFFAOYSA-N

Molecular Weight

302.42