141423
  -OEChem-05231309582D

 17 19  0     0  0  0  0  0  0999 V2000
    4.6095    0.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -1.7409    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7389    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5605    1.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095    1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185   -0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095   -0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004   -0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037    1.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3112   -0.6051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026    1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -2.2440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -0.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
141423

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMABgAAAAAAAAAAAAAAAAASJEgAAAAAAAAAASJAAB4AAAGAQAAAAADACEWACgAYAAAAqEAgBCAHBDAIAgCBAAiBgAAIgIICKgEACAIAAggAAoiAcAAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide

> <PUBCHEM_IUPAC_CAS_NAME>
dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide

> <PUBCHEM_IUPAC_NAME>
dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H4O2S3/c9-13(10)7-3-11-1-5(7)6-2-12-4-8(6)13/h1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
RPQRLVGEDLHHRD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
227.937342

> <PUBCHEM_MOLECULAR_FORMULA>
C8H4O2S3

> <PUBCHEM_MOLECULAR_WEIGHT>
228.31116

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C3=CSC=C3S(=O)(=O)C2=CS1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C3=CSC=C3S(=O)(=O)C2=CS1

> <PUBCHEM_CACTVS_TPSA>
99

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.937342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
2  10  8
2  12  8
3  11  8
3  13  8
6  10  8
6  8  8
7  11  8
7  9  8
8  12  8
9  13  8

$$$$