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
CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12
InChI=1S/C27H24N2O6/c1-2-34-27-22-15-20(12-13-21(22)25(32)24(29-27)26(33)28-16-23(30)31)35-19-10-8-18(9-11-19)14-17-6-4-3-5-7-17/h3-13,15,32H,2,14,16H2,1H3,(H,28,33)(H,30,31)
CVVKHRFCCMGUTB-UHFFFAOYSA-N
472.5