
 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.1253   -0.7957    1.0195 C   0  0  0  0  0
    2.4773    0.3412    0.4580 O   0  0  0  0  0
    3.2438    1.4654    0.3116 C   0  0  0  0  0
    2.6156    2.7199    0.4146 C   0  0  0  0  0
    3.3401    3.8919    0.1606 C   0  0  0  0  0
    4.6981    3.8174   -0.1964 C   0  0  0  0  0
    5.3140    2.5679   -0.3004 C   0  0  0  0  0
    4.5924    1.4004   -0.0480 C   0  0  0  0  0
    5.3462    4.9706   -0.5470 O   0  0  0  0  0
    6.7202    5.0483   -0.1791 C   0  0  0  0  0
    2.6504    5.1992    0.2945 C   0  0  0  0  0
    3.2609    6.2321    0.5375 O   0  0  0  0  0
    1.1739    5.1901    0.1494 C   0  0  0  0  0
    0.4827    4.0733    0.3927 C   0  0  0  0  0
    1.1898    2.8363    0.8093 C   0  0  0  0  0
    0.6259    1.9712    1.4672 O   0  0  0  0  0
   -1.2416    3.9797    0.3098 Cl  0  0  0  0  0
    0.4362    6.6938   -0.2818 Cl  0  0  0  0  0
    2.3493   -1.4888    1.3571 H   0  0  0  0  0
    3.7370   -0.5265    1.8872 H   0  0  0  0  0
    3.7245   -1.3103    0.2624 H   0  0  0  0  0
    6.3469    2.4745   -0.6243 H   0  0  0  0  0
    5.0948    0.4471   -0.1850 H   0  0  0  0  0
    7.0143    6.1015   -0.2084 H   0  0  0  0  0
    7.3417    4.5086   -0.9001 H   0  0  0  0  0
    6.8909    4.6789    0.8377 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4 15  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
M  END

>  <Chemical Name>
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone

>  <PubChem CID>
375895

>  <Formula>
C12H8Cl2O4

>  <Molecular Weight>
287.092000

>  <IUPAC Name>
2,3-dichloro-5,8-dimethoxynaphthalene-1,4-dione

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl

>  <Isomeric SMILES>
COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C12H8Cl2O4/c1-17-5-3-4-6(18-2)8-7(5)11(15)9(13)10(14)12(8)16/h3-4H,1-2H3

>  <InChI Key>
DRGCWMGLVXZPIZ-UHFFFAOYSA-N

