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 COc1ccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)cc1

InChI

InChI=1S/C23H17NO3S/c1-25-15-9-7-14(8-10-15)18-13-28-23(24-18)17-11-12-20(26-2)22-21(17)16-5-3-4-6-19(16)27-22/h3-13H,1-2H3

InChIKey OWYUXTOWWKMWBI-UHFFFAOYSA-N

Molecular Weight

387.46