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 CCC(CC)c1cc(/C=C/C=C/c2cc(O)cc(O)c2)cc(C(CC)CC)c1O

InChI

InChI=1S/C26H34O3/c1-5-20(6-2)24-15-19(16-25(26(24)29)21(7-3)8-4)12-10-9-11-18-13-22(27)17-23(28)14-18/h9-17,20-21,27-29H,5-8H2,1-4H3/b11-9+,12-10+

InChIKey BYJNSXQTTDBDNO-WGDLNXRISA-N

Molecular Weight

394.56