Mol:
1861-32-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.0650 0.0000 Cl 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
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
10 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 5 2 0 0 0 0
17 18 1 0 0 0 0
M END
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氯酞酸二甲酯 MDL:
MFCD00014902
氯酞酸二甲酯 InChIKey:
NPOJQCVWMSKXDN-UHFFFAOYSA-N
氯酞酸二甲酯 Inchi:
InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
氯酞酸二甲酯 SMILES:
#479MBsG1LH9FnH7UqkdUvhGg5oxUvhG1LxG1MsF1nH7UqkdFnH9UqkdMfH=
氯酞酸二甲酯 BRN:
1888840