The International Chemical Identifier (InChI /ˈɪntʃiː/ IN-chee or /ˈɪŋkiː/ ING-kee –pronounced “IN-chee”) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
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| Code Block |
|---|
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
Macro output:
...
Aspirin
InChi text:
| Code Block |
|---|
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
Macro output:
...
Codeine
InChi text:
| Code Block |
|---|
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 |
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