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 CCCN1C[C@@H](CSC)C[C@@H]2Cc3c(O)cccc3C[C@H]21

InChI

InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1

InChIKey PVCUJTUPCCESKR-YSVLISHTSA-N

Molecular Weight

305.49