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(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)20-22-12-13-26(31)27(32)19-22)25-14-16-34(17-15-25)21(2)18-28(23-8-5-4-6-9-23)33-30(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
ZAOPQQSGRPEDAY-QVWGJOIVSA-N
544.57