Mol:
16104-50-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
0.3311 0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 5.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4150 1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.6423 0.0000 Cl 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 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 4 1 0 0 0 0
6 11 1 0 0 0 0
11 2 1 0 0 0 0
4 12 1 0 0 0 0
M END
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1,3-二氯金刚烷 InChIKey: DZLCQHWJVJXVES-UHFFFAOYSA-N
1,3-二氯金刚烷 Inchi: InChI=1S/C10H14Cl2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2
1,3-二氯金刚烷 SMILES: C1C2CC3(CC1CC(C2)(C3)Cl)Cl