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 CC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(C)=O)C2

InChI InChI=1S/C18H14O5/c1-10(19)22-14-7-3-5-12-9-13-6-4-8-15(23-11(2)20)17(13)18(21)16(12)14/h3-8H,9H2,1-2H3

InChIKey KZVNPJJZMRGJSL-UHFFFAOYSA-N

Molecular Weight

310.31