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[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3cccc([N+](=O)[O-])c3)C(=O)CCC2)cc1
InChI=1S/C30H28N4O4/c1-19-16-29(36)32-33-30(19)20-12-14-23(15-13-20)31-27-10-5-11-28(35)26(27)18-22-6-2-3-9-25(22)21-7-4-8-24(17-21)34(37)38/h2-4,6-9,12-15,17,19,31H,5,10-11,16,18H2,1H3,(H,32,36)/t19-/m1/s1
ZLSHBSVYMZHXHG-LJQANCHMSA-N
508.58