Mol:
17630-76-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0
5.3812 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8661 3.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.3981 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 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 4 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 2 0 0 0 0
6 11 2 0 0 0 0
5 12 2 0 0 0 0
M END
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5-氯靛红 MDL: MFCD00014567
5-氯靛红 InChIKey: XHDJYQWGFIBCEP-UHFFFAOYSA-N
5-氯靛红 Inchi: 1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
5-氯靛红 SMILES: ClC1C([H])=C([H])C2=C(C=1[H])C(C(N2[H])=O)=O
5-氯靛红 BRN: 383759