Mol:
3453-83-6.mol by:chem960.com
ChemDraw08031019472D
…………
4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.2800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1493 6.2800 0.0000 O 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
6 8 1 0 0 0 0
4 9 1 0 0 0 0
3 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 END
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均三甲苯磺酸 MDL: MFCD00007434
均三甲苯磺酸 InChIKey: LXFQSRIDYRFTJW-UHFFFAOYSA-N
均三甲苯磺酸 Inchi: InChI=1S/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)
均三甲苯磺酸 SMILES: O=S(C1=C(C)C=C(C)C=C1C)(O)=O