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(=O)c1ccc(OCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1
InChI=1S/C32H29NO6/c1-22(34)24-13-17-27(18-14-24)39-20-19-38-26-15-11-23(12-16-26)21-30(32(36)37)33-29-10-6-5-9-28(29)31(35)25-7-3-2-4-8-25/h2-18,30,33H,19-21H2,1H3,(H,36,37)/t30-/m0/s1
SNFQZLBQSNZLEA-PMERELPUSA-N
523.59