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 COc1cc2c(cc1OC)C1Cc3c(cc(O)c(OC)c3OC)CN1CC2

InChI

InChI=1S/C21H25NO5/c1-24-18-8-12-5-6-22-11-13-7-17(23)21(27-4)20(26-3)15(13)9-16(22)14(12)10-19(18)25-2/h7-8,10,16,23H,5-6,9,11H2,1-4H3

InChIKey NBSPNGNYACXYLH-UHFFFAOYSA-N

Molecular Weight

371.43