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
CCC(=O)O/N=C1/CC2(CCN(C)CC2)OC1C.O=C(O)/C=C\C(=O)O.O=C(O)C(=O)O
InChI=1S/C13H22N2O3.C4H4O4.C2H2O4/c1-4-12(16)18-14-11-9-13(17-10(11)2)5-7-15(3)8-6-13;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h10H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b14-11-;2-1-;
IMYCXHVEKIVHHA-ZYSBAPMXSA-N
460.44