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
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1ccc(C#N)cc1.[Na+]
InChI=1S/C35H36FN3O5.Na/c1-22(2)39-30(17-16-28(40)18-29(41)19-31(42)43)32(26-12-14-27(36)15-13-26)33(25-6-4-3-5-7-25)34(39)35(44)38-21-24-10-8-23(20-37)9-11-24;/h3-15,22,28-29,40-41H,16-19,21H2,1-2H3,(H,38,44)(H,42,43);/q;+1/p-1/t28-,29-;/m1./s1
NSDFDGFQKYYEIM-PQQSRXGVSA-M
619.67