Mol:
831-61-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0
-1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
2 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
8 10 2 0
10 11 1 0
10 12 1 0
12 13 1 0
12 14 2 0
14 6 1 0
M END
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没食子酸乙酯 MDL:
MFCD00016430
没食子酸乙酯 InChIKey:
VFPFQHQNJCMNBZ-UHFFFAOYSA-N
没食子酸乙酯 Inchi:
1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
没食子酸乙酯 SMILES:
O=C(C1C=C(O)C(O)=C(O)C=1)OCC
没食子酸乙酯 BRN:
2116014