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
COc1ccccc1CNCCCCCCNC1=CC(=O)C(NCCCCCCNCc2ccccc2OC)=CC1=O
InChI=1S/C34H48N4O4/c1-41-33-17-9-7-15-27(33)25-35-19-11-3-5-13-21-37-29-23-32(40)30(24-31(29)39)38-22-14-6-4-12-20-36-26-28-16-8-10-18-34(28)42-2/h7-10,15-18,23-24,35-38H,3-6,11-14,19-22,25-26H2,1-2H3
WGCPPVBZEQSYPG-UHFFFAOYSA-N
576.78