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 CCCCCOc1ccccc1C(O)CC#CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H26O4.Na/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22;/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22);/q;+1/p-1

InChIKey UBLVDUGLPDCNKB-UHFFFAOYSA-M

Molecular Weight

340.4