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
Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCC[C@H]3C(=O)O)cc2Cl)cccc1-c1cccc(OCCCN2CCOCC2)c1C
InChI=1S/C43H48ClN3O6/c1-30-34(11-6-12-36(30)37-13-7-15-40(31(37)2)51-20-8-16-46-18-21-50-22-19-46)29-53-42-25-41(52-28-33-10-5-9-32(23-33)26-45)35(24-38(42)44)27-47-17-4-3-14-39(47)43(48)49/h5-7,9-13,15,23-25,39H,3-4,8,14,16-22,27-29H2,1-2H3,(H,48,49)/t39-/m0/s1
WMUCEIZXRSPMDZ-KDXMTYKHSA-N
738.32