Mol:
60077-46-5.mol by:chem960.com
ChemDraw08031019472D
…………
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3.5036 5.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2883 6.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0729 8.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7183 6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 8.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 5.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7935 0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0742 0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7145 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1445 1.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.7145 2.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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断马钱子酸 Smile 编码:
C12(C([H])([H])C(O[H])([H])OC(=O)C1=C(OC(C2(C(=C([H])[H])[H])[H])(OC1(C(O[H])([H])C(O[H])([H])C(O[H])([H])C(C(O[H])([H])[H])([H])O1)[H])[H])[H])[H]
断马钱子酸 InChi 编码:
断马钱子酸 InChiKey 编码:
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断马钱子酸
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