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 COC(=O)c1ccc2[nH]c([S@+]([O-])Cc3nccc(OC)c3OC)nc2c1

InChI

InChI=1S/C17H17N3O5S/c1-23-14-6-7-18-13(15(14)24-2)9-26(22)17-19-11-5-4-10(16(21)25-3)8-12(11)20-17/h4-8H,9H2,1-3H3,(H,19,20)/t26-/m1/s1

InChIKey ONXDCEYKZWLBBI-AREMUKBSSA-N

Molecular Weight

375.41