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)c1c2c(c(C)n1Cc1ccc(C)cc1)-c1oc(=O)c(C(=O)OC)cc1CC2
InChI=1S/C25H25NO6/c1-5-31-25(29)21-18-11-10-17-12-19(23(27)30-4)24(28)32-22(17)20(18)15(3)26(21)13-16-8-6-14(2)7-9-16/h6-9,12H,5,10-11,13H2,1-4H3
UUCGYZHEHXZSJQ-UHFFFAOYSA-N
435.48