Mol:
14868-03-2.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0
1.3597 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 9.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1400 0.0000 Cl 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 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
7 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
2 18 1 0 0 0 0
M END
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双酚 C MDL: MFCD00233304
双酚 C InChIKey: OWEYKIWAZBBXJK-UHFFFAOYSA-N
双酚 C Inchi: 1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H
双酚 C SMILES: Cl/C(=C(\C1C([H])=C([H])C(=C([H])C=1[H])O[H])/C1C([H])=C([H])C(=C([H])C=1[H])O[H])/Cl