Mol:
57966-95-7.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0
4.0790 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 3.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 3 0 0 0 0
9 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
M END
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霜脲氰 MDL: MFCD00137381
霜脲氰 InChIKey: XERJKGMBORTKEO-VZUCSPMQSA-N
霜脲氰 Inchi: 1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)
霜脲氰 SMILES: N#C/C(C(NC(NCC)=O)=O)=N\OC