Mol:
117-43-1.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4414 0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8662 2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 8.4259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 9.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2911 8.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1511 8.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
5 6 2 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 2 2 0 0 0 0
11 6 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
M END
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8-羟基-1,6-萘二磺酸 MDL: MFCD00035718
8-羟基-1,6-萘二磺酸 InChIKey: XQAFHGXXHIZSGZ-UHFFFAOYSA-N
8-羟基-1,6-萘二磺酸 Inchi: 1S/C10H8O7S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
8-羟基-1,6-萘二磺酸 SMILES: S(C1=C([H])C([H])=C([H])C2=C([H])C(=C([H])C(=C21)O[H])S(=O)(=O)O[H])(=O)(=O)O[H]