87949
  -OEChem-04232405572D

 36 38  0     0  0  0  0  0  0999 V2000
    4.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -5.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    5.5369    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  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
87949

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMANwAAAAAAAAAAAAAABIAAAAAAAwYAAAAAAAAAABQAAAGggAAAAACASAkAIyBoAABACAACBCAAACCAAgIAAIiAAGCIgMJiKEMRqAMCAkwBEIqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2lambda5,4lambda5-dithiadiphosphetane

> <PUBCHEM_IUPAC_CAS_NAME>
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2&lambda;<SUP>5</SUP>,4&lambda;<SUP>5</SUP>-dithiadiphosphetane

> <PUBCHEM_IUPAC_NAME>
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2lambda5,4lambda5-dithiadiphosphetane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CFHGBZLNZZVTAY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
403.93518837

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14O2P2S4

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.93518837

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  12  8
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  19  8
18  20  8
9  11  8
9  13  8

$$$$