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
CCOC(=O)C(C)Oc1ccc(OC2O[C@@H]3O[C@]4(C)CCC5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1
InChI=1S/C26H36O8/c1-6-28-22(27)17(4)29-18-8-10-19(11-9-18)30-23-16(3)21-12-7-15(2)20-13-14-25(5)32-24(31-23)26(20,21)34-33-25/h8-11,15-17,20-21,23-24H,6-7,12-14H2,1-5H3/t15-,16-,17?,20?,21+,23?,24-,25+,26-/m1/s1
SGAKSKACISAWRD-MSAXMJQWSA-N
476.57