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 Cc1ccc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c1

InChI InChI=1S/C16H14O4/c1-10-2-5-13(17)12(8-10)14(18)6-3-11-4-7-15(19)16(20)9-11/h2-9,17,19-20H,1H3/b6-3+

InChIKey OHSMKVDMAWXYSR-ZZXKWVIFSA-N

Molecular Weight

270.28