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 CCOc1ccc(OC)c(C(=O)/C=C/c2ccc(O)c(O)c2)c1

InChI InChI=1S/C18H18O5/c1-3-23-13-6-9-18(22-2)14(11-13)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+

InChIKey IRAOFXWBNLBCSG-QPJJXVBHSA-N

Molecular Weight

314.34