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
CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C(=O)O)=C[C@]3(C)CC[C@@H]12
InChI=1S/C20H21NO4/c1-18(2)14-5-6-19(3)9-12(17(24)25)13(22)7-15(19)20(14,4)8-11(10-21)16(18)23/h7-9,14H,5-6H2,1-4H3,(H,24,25)/t14-,19-,20-/m0/s1
VQGLKNMJFOHNKZ-GKCIPKSASA-N
339.39