Mol:
10578-34-4.mol by:chem960.com
ChemDraw08031019472D
…………
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
9.5176 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 0.0000 C 0 0 0 0 0 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
2.7193 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
1 8 2 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 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 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
硬脂醇苯甲酸酯 InChIKey: KPWVFNOPNOTYNJ-UHFFFAOYSA-N
硬脂醇苯甲酸酯 Inchi: InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
硬脂醇苯甲酸酯 SMILES: C(OCCCCCCCCCCCCCCCCCC)(=O)C1C=CC=CC=1