Mol:
77-94-1.mol by:chem960.com
ChemDraw08031019472D
…………
0
13.5966 13.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3730 6.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 5.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 7 2 0 0 0 0
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8 9 1 0 0 0 0
9 10 1 0 0 0 0
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11 12 2 0 0 0 0
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9 18 1 0 0 0 0
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19 20 2 0 0 0 0
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22 23 1 0 0 0 0
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24 25 1 0 0 0 0
M END
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柠檬酸三丁酯 MDL: MFCD00027217
柠檬酸三丁酯 InChIKey: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
柠檬酸三丁酯 Inchi: 1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
柠檬酸三丁酯 SMILES: O([H])C(C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
柠檬酸三丁酯 BRN: 1806072