Mol:
835617-36-2.mol by:chem960.com
ChemDraw08031019472D
…………
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
1.5000 2.5981 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
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 2 0
2 4 1 0
2 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
8 12 1 0
6 13 1 0
5 10 1 0
M END
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磺酸荚二水合物 MDL: MFCD00149535
磺酸荚二水合物 InChIKey: XNOZTDZTNOUJFT-UHFFFAOYSA-N
磺酸荚二水合物 Inchi: 1S/C9H12O3S.H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;/h4-5H,1-3H3,(H,10,11,12);1H2
磺酸荚二水合物 SMILES: O=S(C1C(C)=CC(C)=CC=1C)(O)=O.O
磺酸荚二水合物 BRN: 1961501