Mol:
14529-12-5.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 8.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4407 7.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4399 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4399 2.3550 0.0000 C 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 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
9 10 2 0 0 0 0
7 11 2 0 0 0 0
6 12 1 0 0 0 0
5 13 1 0 0 0 0
13 14 2 0 0 0 0
14 2 1 0 0 0 0
M END
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5-氯-N-甲基靛红酸酐 MDL: MFCD00082871
5-氯-N-甲基靛红酸酐 InChIKey: FKTQNWWDMJDNHA-UHFFFAOYSA-N
5-氯-N-甲基靛红酸酐 Inchi: InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3
5-氯-N-甲基靛红酸酐 SMILES: CN1C2=C(C=C(C=C2)Cl)C(=O)OC1=O