
 naphthalene

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4478   -0.6635    0.0116 C   0  0  0  0  0
    2.4262    0.7281    0.0043 C   0  0  0  0  0
    1.2066    1.4069   -0.0074 C   0  0  0  0  0
   -0.0078    0.7015   -0.0119 C   0  0  0  0  0
   -1.2434    1.3689   -0.0237 C   0  0  0  0  0
   -2.4414    0.6525   -0.0281 C   0  0  0  0  0
   -2.4199   -0.7391   -0.0207 C   0  0  0  0  0
   -1.2003   -1.4180   -0.0089 C   0  0  0  0  0
    0.0141   -0.7124   -0.0044 C   0  0  0  0  0
    1.2496   -1.3798    0.0073 C   0  0  0  0  0
    3.3966   -1.1932    0.0207 H   0  0  0  0  0
    3.3583    1.2870    0.0076 H   0  0  0  0  0
    1.2099    2.4945   -0.0130 H   0  0  0  0  0
   -1.2804    2.4559   -0.0296 H   0  0  0  0  0
   -3.3903    1.1822   -0.0372 H   0  0  0  0  0
   -3.3520   -1.2980   -0.0240 H   0  0  0  0  0
   -1.2036   -2.5056   -0.0033 H   0  0  0  0  0
    1.2867   -2.4668    0.0132 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  2  0  0  0
 10 18  1  0  0  0
M  END

>  <Chemical Name>
naphthalene

>  <PubChem CID>
931

>  <Formula>
C10H8

>  <Molecular Weight>
128.174000

>  <IUPAC Name>
naphthalene

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
0

>  <Canonical SMILES>
C1=CC=C2C=CC=CC2=C1

>  <Isomeric SMILES>
C1=CC=C2C=CC=CC2=C1

>  <InChI Std. ID>
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

>  <InChI Key>
UFWIBTONFRDIAS-UHFFFAOYSA-N

