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
CCOC(=O)/C=C/c1c(Oc2ccc(OC)cc2C(=O)OC)nc[nH]c1=O
InChI=1S/C18H18N2O7/c1-4-26-15(21)8-6-12-16(22)19-10-20-17(12)27-14-7-5-11(24-2)9-13(14)18(23)25-3/h5-10H,4H2,1-3H3,(H,19,20,22)/b8-6+
PKVWPXXBPCAJGP-SOFGYWHQSA-N
374.35