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
C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-]
InChI=1S/C18H22NO3S2.BrH/c1-19-8-6-13(7-9-19)14(12-19)22-17(20)18(21,15-4-2-10-23-15)16-5-3-11-24-16;/h2-5,10-11,13-14,21H,6-9,12H2,1H3;1H/q+1;/p-1/t13?,14-,19?;/m0./s1
LLORSFIKGQRFSL-QQEZHUOCSA-M
444.42