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
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21.[Br-]
InChI=1S/C30H32NO4.BrH/c32-29(30(33)26-13-6-4-11-24(26)25-12-5-7-14-27(25)30)35-28-21-31(18-15-22(28)16-19-31)17-8-20-34-23-9-2-1-3-10-23;/h1-7,9-14,22,28,33H,8,15-21H2;1H/q+1;/p-1/t22?,28-,31?;/m0./s1
YFMPQZSMJXCXNI-IJADKNTHSA-M
550.49