Mol:
77513-40-7.mol by:chem960.com
ChemDraw08031019472D
…………
12.2369 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.7850 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 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
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
4 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 2 2 0 0 0 0
M END
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苄基3 - 羟基苯甲酸酯 MDL:
MFCD11225903
苄基3 - 羟基苯甲酸酯 InChIKey:
QCLMZTCDRVMSHA-UHFFFAOYSA-N
苄基3 - 羟基苯甲酸酯 Inchi:
InChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2
苄基3 - 羟基苯甲酸酯 SMILES:
C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)O