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
O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1
InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m1/s1
FTFRVHRVNAJZCB-YADHBBJMSA-N
393.48