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)O[C@@H]1c2ccc(CN(C)C)n2-c2ccccc2S[C@@H]1c1ccccc1
InChI=1S/C23H24N2O2S/c1-16(26)27-22-20-14-13-18(15-24(2)3)25(20)19-11-7-8-12-21(19)28-23(22)17-9-5-4-6-10-17/h4-14,22-23H,15H2,1-3H3/t22-,23-/m1/s1
KCEKMNJYZIZWOQ-DHIUTWEWSA-N
392.52