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 O=c1ccn([C@H]2CS[C@@H](CO)O2)c(=O)[nH]1

InChI InChI=1S/C8H10N2O4S/c11-3-7-14-6(4-15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7+/m1/s1

InChIKey BNVOMPQTQUUYHU-RQJHMYQMSA-N

Molecular Weight

230.25