69714542
  -OEChem-05142414082D

 31 32  0     1  0  0  0  0  0999 V2000
    5.4641   -0.8623    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.4641   -0.8623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.5170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.9706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  3 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69714542

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMABgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAQACAAADACAWAAyAcAAAIKAAiBCAGBCAEAgAAAIiBAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACgAAUAACAAAUAACgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydroxy-oxo-(2-propyl-1-naphthyl)-thioxo-lambda6-sulfane

> <PUBCHEM_IUPAC_CAS_NAME>
hydroxy-oxo-(2-propyl-1-naphthalenyl)-sulfanylidene-lambda6-sulfane

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydroxy-oxo-(2-propylnaphthalen-1-yl)-sulfanylidene-&lambda;<SUP>6</SUP>-sulfane

> <PUBCHEM_IUPAC_NAME>
hydroxy-oxo-(2-propylnaphthalen-1-yl)-sulfanylidene-lambda6-sulfane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanyl-oxidanylidene-(2-propylnaphthalen-1-yl)-sulfanylidene-lambda6-sulfane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hydroxy-keto-(2-propyl-1-naphthyl)-thioxo-lambda6-sulfane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14O2S2/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)17(14,15)16/h3-4,6-9H,2,5H2,1H3,(H,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
FWEDSVTVCGHTPM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
266.04352203

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=S)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=S)O

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.04352203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
13  16  8
14  17  8
16  17  8
5  11  8
5  6  8
6  8  8
8  13  8
8  9  8
9  12  8
9  14  8

$$$$