Mol:
3943-89-3.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.0650 0.0000 O 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 2 2 0 0 0 0
12 13 1 0 0 0 0
M END
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3,4-二羟基苯甲酸乙酯 MDL:
MFCD00002199
3,4-二羟基苯甲酸乙酯 InChIKey:
KBPUBCVJHFXPOC-UHFFFAOYSA-N
3,4-二羟基苯甲酸乙酯 Inchi:
1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
3,4-二羟基苯甲酸乙酯 SMILES:
O(C([H])([H])C([H])([H])[H])C(C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O
3,4-二羟基苯甲酸乙酯 BRN:
2097435