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
CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccccc2C)=CC1=O)Cc1ccccc1C
InChI=1S/C38H56N4O2/c1-5-41(29-33-21-13-11-19-31(33)3)25-17-9-7-15-23-39-35-27-38(44)36(28-37(35)43)40-24-16-8-10-18-26-42(6-2)30-34-22-14-12-20-32(34)4/h11-14,19-22,27-28,39-40H,5-10,15-18,23-26,29-30H2,1-4H3
FJCJZHJMWARDKI-UHFFFAOYSA-N
600.89