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)(CC(c1ccccc1)c1ccccc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChI=1S/C28H30N2O3/c1-28(2,17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20)29-18-25(32)21-13-15-24(31)27-22(21)14-16-26(33)30-27/h3-16,23,25,29,31-32H,17-18H2,1-2H3,(H,30,33)
DEYRCBQMUUNCSY-UHFFFAOYSA-N
442.56