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
CC1OC2(CCN(C)CC2)C2OCCOC12.O=C(O)/C=C\C(=O)O.O=C(O)C(=O)O
InChI=1S/C12H21NO3.C4H4O4.C2H2O4/c1-9-10-11(15-8-7-14-10)12(16-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-;
KROQRDGNPUVFTL-FJOGWHKWSA-N
433.41