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
CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](N)(COP(=O)(O)O)C4)ccc3C2)c1
InChI=1S/C26H35N2O6P/c1-28(2)25(29)22-4-3-5-24(14-22)33-16-18-6-7-20-13-21(9-8-19(20)12-18)23-10-11-26(27,15-23)17-34-35(30,31)32/h3-5,8-9,13-14,18,23H,6-7,10-12,15-17,27H2,1-2H3,(H2,30,31,32)/t18-,23+,26-/m1/s1
WHNXCKWIIZRITG-KXVHNFKESA-N
502.55