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
COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(C)cc(C)c4)cc3C)cc12
InChI=1S/C30H28N2O7/c1-15-8-16(2)10-19(9-15)26(35)20-11-17(3)28(18(4)12-20)39-21-6-7-22-23(13-21)30(38-5)32-25(27(22)36)29(37)31-14-24(33)34/h6-13,36H,14H2,1-5H3,(H,31,37)(H,33,34)
NDRCLNIQEVMXFO-UHFFFAOYSA-N
528.56