141125
  Marvin  01010811133D          

 13 13  0  0  0  0            999 V2000
   -0.1283   -2.5422   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658   -0.6138    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1195   -1.3196   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0475    0.8443   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.6295   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    1.4497   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    0.7176   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -0.9159   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236   -0.9042    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754    1.3949   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -1.1196   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061    2.4425   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1794    1.1959   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  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  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  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/h1-4H,5H2

> <StdInChIKey>
WQPDQJCBHQPNCZ-UHFFFAOYSA-N

> <AuxInfo>
1/0/N:6,7,4,5,2,3,1/rA:13nOCCCCCCHHHHHH/rB:;d1s2;s2;s3;d4;d5s6;s2;s2;s4;s5;s6;s7;/rC:-.1283,-2.5422,-.0043;1.1658,-.6138,.0065;-.1195,-1.3196,-.0021;1.0475,.8443,-.0012;-1.2986,-.6295,-.0041;-.1554,1.4497,-.0042;-1.3072,.7176,-.0039;1.7474,-.9159,-.8684;1.7236,-.9042,.9004;1.8754,1.3949,-.0035;-2.1653,-1.1196,-.0049;-.2061,2.4425,-.0066;-2.1794,1.1959,-.0037;

> <Formula>
C6 H6 O

> <Mw>
94.11124

> <SMILES>
O=C1C([H])=C([H])C([H])=C([H])C1([H])[H]

> <CSID>
124484

$$$$