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(OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-]
InChI=1S/C30H33FNO3.BrH/c31-27-15-13-23(14-16-27)8-7-19-32-20-17-24(18-21-32)28(22-32)35-29(33)30(34,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-6,9-16,24,28,34H,7-8,17-22H2;1H/q+1;/p-1
GBCWXWXBNFRMHD-UHFFFAOYSA-M
554.5