Mol:
16156-59-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
6.7983 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.0000 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
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 2 0 0 0 0
2 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 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 6 2 0 0 0 0
M END
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甲磺酸苯酯 MDL: MFCD00095143
甲磺酸苯酯 InChIKey: WXVUCMFEGJUVTN-UHFFFAOYSA-N
甲磺酸苯酯 Inchi: 1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
甲磺酸苯酯 SMILES: S(C([H])([H])[H])(=O)(=O)OC1C([H])=C([H])C([H])=C([H])C=1[H]