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
Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1cccc(C(=O)O)c1
InChI=1S/C23H26N2O2/c1-15-12-16(2)22-19(9-10-24-22)20(15)14-25-11-4-3-8-21(25)17-6-5-7-18(13-17)23(26)27/h5-7,9-10,12-13,21,24H,3-4,8,11,14H2,1-2H3,(H,26,27)
IDAQIBNNEOTNPN-UHFFFAOYSA-N
362.47