Mol:
26447-10-9.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.7100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1493 4.7100 0.0000 O 0 5 0 0 0 0 0 0 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
4 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 3 1 0 0 0 0
6 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
M CHG 1 1 1
M CHG 1 13 -1
M END
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二甲苯磺酸铵 InChIKey: MPYVAOBZGSNBFX-UHFFFAOYSA-N
二甲苯磺酸铵 Inchi: InChI=1S/C8H10O3S.H3N/c1-6-4-3-5-8(7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3
二甲苯磺酸铵 SMILES: [NH4+].CC1C=CC=C(S([O-])(=O)=O)C=1C