Mol:
76-59-5.mol by:chem960.com
ChemDraw08031019472D
…………
8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2610 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0206 7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 8.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 10.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0206 10.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3803 10.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3803 8.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4932 7.4134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 8.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 5.9782 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
2 4 1 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 1 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 4 2 0 0 0 0
11 12 1 0 0 0 0
5 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
15 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 14 2 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 26 2 0 0 0 0
27 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 2 0 0 0 0
32 35 1 0 0 0 0
35 13 1 0 0 0 0
M END
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溴麝香草酚蓝 Smile 编码:
BrC1=C(C(C([H])(C([H])([H])[H])C([H])([H])[H])=C([H])C(=C1C([H])([H])[H])C1(C2C([H])=C(C(=C(C=2C([H])([H])[H])Br)O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2S(=O)(=O)O1)O[H]
溴麝香草酚蓝 InChi 编码:
溴麝香草酚蓝 InChiKey 编码:
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