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
Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC2CN(CCCF)C2)cc1
InChI=1S/C28H30FNO2/c29-15-4-16-30-18-25(19-30)32-24-11-7-21(8-12-24)28-26(20-5-2-1-3-6-20)13-9-22-17-23(31)10-14-27(22)28/h1-3,5-8,10-12,14,17,25-26,28,31H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1
PCKVWUUOOYFEII-IAPPQJPRSA-N
431.55