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(C)CCC(NCC(C)(C)CCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1
InChI=1S/C33H50N4/c1-32(2)16-14-28(15-17-32)36-24-33(3,4)18-20-37(30-13-7-11-25-12-8-19-34-31(25)30)23-29-21-26-9-5-6-10-27(26)22-35-29/h5-6,8-10,12,19,28-30,35-36H,7,11,13-18,20-24H2,1-4H3/t29-,30+/m1/s1
JSBXUFQJCIWBMY-IHLOFXLRSA-N
502.79