6451477
  Marvin  12300719113D          

 13 13  0  0  0  0            999 V2000
    0.0758    1.5048    0.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -1.1065   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6148   -1.1430   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117   -0.0902    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -0.1720   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967    1.1007    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0381    0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084   -1.9253   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0128   -1.9857   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -0.2417    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645   -0.3767   -0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    1.7498    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607    1.6477    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END

> <StdInChI>
InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H

> <StdInChIKey>
ATYBXHSAIOKLMG-UHFFFAOYSA-N

> <AuxInfo>
1/0/N:2,3,4,5,6,7,1/E:(1,2)(3,4)(5,6)/rA:13nOCCCCCCHHHHHH/rB:;d2;s2;s3;s1d4;s1d5;s2;s3;s4;s5;s6;s7;/rC:.0758,1.5048,.6075;-.7275,-1.1065,-.4102;.6148,-1.143,-.4871;-1.5117,-.0902,.0316;1.4983,-.172,-.1409;-1.0967,1.1007,.4952;1.2041,1.0381,.3634;-1.2084,-1.9253,-.7143;1.0128,-1.9857,-.8416;-2.4964,-.2417,.0106;2.4645,-.3767,-.2737;-1.7903,1.7498,.7873;1.9607,1.6477,.5723;

> <Formula>
C6 H6 O

> <Mw>
94.11124

> <SMILES>
O1C([H])=C([H])C([H])=C([H])C([H])=C1[H]

> <CSID>
4953942

$$$$