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(C)C[C@H](N[C@@H](c1ccc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)cc1)C(F)(F)F)C(=O)NCC#N
InChI=1S/C29H30F3N3O3S/c1-19(2)18-26(28(36)34-17-16-33)35-27(29(30,31)32)24-10-8-22(9-11-24)20-4-6-21(7-5-20)23-12-14-25(15-13-23)39(3,37)38/h4-15,19,26-27,35H,17-18H2,1-3H3,(H,34,36)/t26-,27-/m0/s1
GBMRHPFMWMDHIG-SVBPBHIXSA-N
557.64