Mol:
61788-32-7.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0
8.1580 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 0.7850 0.0000 C 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
10 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
M END
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氢化三联苯 InChIKey: TVBYFUMVFJKKNJ-UHFFFAOYSA-N
氢化三联苯 Inchi: InChI=1S/C18H22/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3,5,9,11-16H,2,4,6-8,10H2
氢化三联苯 SMILES: C1CCC(C2C=CC(C3CCCC=C3)=CC=2)CC=1