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 COc1c(S(=O)(=O)[O-])cc2c(c1OC)C(=O)c1ccccc1C2=O.[Na+]

InChI

InChI=1S/C16H12O7S.Na/c1-22-15-11(24(19,20)21)7-10-12(16(15)23-2)14(18)9-6-4-3-5-8(9)13(10)17;/h3-7H,1-2H3,(H,19,20,21);/q;+1/p-1

InChIKey CRYXVAOSBBPFEE-UHFFFAOYSA-M

Molecular Weight

370.31