11243996
  -OEChem-05042418322D

 22 25  0     0  0  0  0  0  0999 V2000
    7.1850    0.2193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    2.1591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    2.1424    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273   -0.7554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0449    1.1764    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861    0.2105    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360   -0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5650   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122   -1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    1.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5758   -2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    2.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0264   -2.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    0.2279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -1.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582    1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -2.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11243996

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
381

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAANwAAAAAAAAAAAAAABIAAAAAAA0aIEAAAAAAADRUAAAGAgAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-dithioxo-3,14-dithia-2lambda5,4lambda5-diphosphatetracyclo[7.3.1.12,4.05,13]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_CAS_NAME>
2,4-bis(sulfanylidene)-3,14-dithia-2lambda5,4lambda5-diphosphatetracyclo[7.3.1.12,4.05,13]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4-bis(sulfanylidene)-3,14-dithia-2&lambda;<SUP>5</SUP>,4&lambda;<SUP>5</SUP>-diphosphatetracyclo[7.3.1.1<SUP>2,4</SUP>.0<SUP>5,13</SUP>]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_NAME>
2,4-bis(sulfanylidene)-3,14-dithia-2lambda5,4lambda5-diphosphatetracyclo[7.3.1.12,4.05,13]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-bis(sulfanylidene)-3,14-dithia-2lambda5,4lambda5-diphosphatetracyclo[7.3.1.12,4.05,13]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-dithioxo-3,14-dithia-2lambda5,4lambda5-diphosphatetracyclo[7.3.1.12,4.05,13]tetradeca-1(12),5,7,9(13),10-pentaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6P2S4/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14,15-11)16-11/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
NYHOAPMWYNAQJE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
315.88275888

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6P2S4

> <PUBCHEM_MOLECULAR_WEIGHT>
316.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C3C(=C1)P4(=S)SP(=S)(C3=CC=C2)S4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C3C(=C1)P4(=S)SP(=S)(C3=CC=C2)S4

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.88275888

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
10  13  8
10  14  8
11  15  8
12  16  8
13  15  8
14  16  8
7  10  8
7  8  8
7  9  8
8  11  8
9  12  8

$$$$