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
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)[O-])c2)c1O.C[N+](C)(C)CCO
InChI=1S/C25H22N4O4.C5H14NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;1-6(2,3)4-5-7/h4-13,26,30H,1-3H3,(H,32,33);7H,4-5H2,1-3H3/q;+1/p-1/b27-22-;
XSHFVAAXJHNDKZ-OUFJFOJPSA-M
545.64