Mol:
80-40-0.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 C 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 0.0000 0.0000 C 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
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
12 7 1 0
M END
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对甲苯磺酸乙酯 MDL: MFCD00009100
对甲苯磺酸乙酯 InChIKey: VRZVPALEJCLXPR-UHFFFAOYSA-N
对甲苯磺酸乙酯 Inchi: 1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
对甲苯磺酸乙酯 SMILES: O=S(C1C=CC(C)=CC=1)(OCC)=O
对甲苯磺酸乙酯 BRN: 611213