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 O=C(O)C1C(C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2

InChI

InChI=1S/C14H12ClNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11?,12?/m1/s1

InChIKey ONILNZAYAKHDQE-QKEWWQLBSA-N

Molecular Weight

293.71