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
CCN1/C(=C/C=C(Cl)/C=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
InChI=1S/C31H26ClN2S2.C7H8O3S/c1-3-33-28(35-26-17-13-21-9-5-7-11-24(21)30(26)33)19-15-23(32)16-20-29-34(4-2)31-25-12-8-6-10-22(25)14-18-27(31)36-29;1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
ZQYSGEJKDITGGD-UHFFFAOYSA-M
697.35