996
  Marvin  12300703363D          

 13 13  0  0  0  0            999 V2000
   -1.1709   -2.1086   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317   -1.0277   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888    0.1839   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    1.4138   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    1.4069   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -1.9155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2490    0.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112    0.1810   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246    2.3005   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055    2.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0526   -2.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END

> <PUBCHEM_BONDANNOTATIONS>
2  3  8
2  4  8
3  5  8
4  6  8
5  7  8
6  7  8

> <StdInChI>
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

> <StdInChIKey>
ISWSIDIOOBJBQZ-UHFFFAOYSA-N

> <AuxInfo>
1/0/N:7,5,6,3,4,2,1/E:(2,3)(4,5)/rA:13nOCCCCCCHHHHHH/rB:s1;d2;s2;s3;d4;d5s6;s3;s4;s5;s6;s7;s1;/rC:-1.1709,-2.1086,0;-.5317,-1.0277,0;.8788,-1.0328,0;-1.2264,.1986,0;1.5888,.1839,0;-.5163,1.4138,0;.8912,1.4069,0;1.396,-1.9155,0;-2.249,.2143,0;2.6112,.181,0;-1.0246,2.3005,0;1.4055,2.2902,0;-2.0526,-2.1045,0;

> <Formula>
C6 H6 O

> <Mw>
94.11124

> <SMILES>
O([H])C1C([H])=C([H])C([H])=C([H])C=1[H]

> <CSID>
971

$$$$