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
NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChI=1S/C18H22N4O6S4/c19-31(25,26)15-5-1-13(2-6-15)21-17(23)9-11-29-30-12-10-18(24)22-14-3-7-16(8-4-14)32(20,27)28/h1-8H,9-12H2,(H,21,23)(H,22,24)(H2,19,25,26)(H2,20,27,28)
NYLCXDVJOVAEFR-UHFFFAOYSA-N
518.66