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
NCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O
InChI=1S/C32H36N4O6/c33-11-2-5-21(30(39)40)34-29(38)19-4-1-3-18-20-14-32(41)23-13-17-8-9-22(37)27-24(17)31(32,10-12-36(23)15-16-6-7-16)28(42-27)26(20)35-25(18)19/h1,3-4,8-9,16,21,23,28,35,37,41H,2,5-7,10-15,33H2,(H,34,38)(H,39,40)/t21-,23?,28+,31?,32-/m1/s1
UTJUZGQNYUMWPT-MZFPFZBHSA-N
572.66