Mol:
77-93-0.mol by:chem960.com
ChemDraw08031019472D
…………
9.5176 9.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6536 5.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.0790 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
M END
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柠檬酸三乙酯 MDL: MFCD00009201
柠檬酸三乙酯 InChIKey: DOOTYTYQINUNNV-UHFFFAOYSA-N
柠檬酸三乙酯 Inchi: 1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
柠檬酸三乙酯 SMILES: O([H])C(C(=O)OC([H])([H])C([H])([H])[H])(C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H]
柠檬酸三乙酯 BRN: 1801199