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
CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CCC(O)CC5)cs4)c3c2c1
InChI=1S/C24H23F2N3O6S2/c1-37(32,33)29-13-4-8-18-16(10-13)20-15(7-9-19(21(20)34-18)35-24(25)26)23-28-17(11-36-23)22(31)27-12-2-5-14(30)6-3-12/h4,7-12,14,24,29-30H,2-3,5-6H2,1H3,(H,27,31)
IDTASANPSWVRRB-UHFFFAOYSA-N
551.59