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 COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1.Cl

InChI

InChI=1S/C22H23NO4.ClH/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17;/h2-11,17,23H,12-15H2,1H3;1H/t17-;/m0./s1

InChIKey JQLOQIYDEYNBTQ-LMOVPXPDSA-N

Molecular Weight

401.89