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
CN(C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChI=1S/C26H28F6N2O2/c1-34(14-20-7-10-23(35)33-20)21-8-9-22(24(21)17-5-3-2-4-6-17)36-15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-6,11-13,20-22,24H,7-10,14-15H2,1H3,(H,33,35)/t20-,21+,22-,24-/m0/s1
FLLDRPOJCLGUHA-KHUIQGCPSA-N
514.51