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
CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21.[Br-]
InChI=1S/C31H34NO4.BrH/c1-31(25-12-5-7-14-27(25)35-28-15-8-6-13-26(28)31)30(33)36-29-22-32(19-16-23(29)17-20-32)18-9-21-34-24-10-3-2-4-11-24;/h2-8,10-15,23,29H,9,16-22H2,1H3;1H/q+1;/p-1/t23?,29-,32?;/m0./s1
NASJAUNCFRWKJI-NTHLUGJQSA-M
564.52