Mol:
123444-29-1.mol by:chem960.com
ChemDraw08031019472D
…………
5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
9 1 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
11 14 1 0 0 0 0
M END
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(9CI)-吡啶并[1,2-a]苯并咪唑-8-醇 InChIKey:
ALVJTLMBJPKXLZ-UHFFFAOYSA-N
(9CI)-吡啶并[1,2-a]苯并咪唑-8-醇 Inchi:
InChI=1S/C11H8N2O/c14-8-4-5-9-10(7-8)13-6-2-1-3-11(13)12-9/h1-7,14H
(9CI)-吡啶并[1,2-a]苯并咪唑-8-醇 SMILES:
C1N2C(=NC3C=CC(O)=CC=32)C=CC=1