66348
  -OEChem-05112410192D

  8  8  0     0  0  0  0  0  0999 V2000
    3.7071   -1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142   -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
    4.4142    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
    3.7071    1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
24

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
octathiocane

> <PUBCHEM_IUPAC_CAS_NAME>
octathiocane

> <PUBCHEM_IUPAC_NAME_MARKUP>
octathiocane

> <PUBCHEM_IUPAC_NAME>
octathiocane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,4,5,6,7,8-octathiocane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
octathiocane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/S8/c1-2-4-6-8-7-5-3-1

> <PUBCHEM_IUPAC_INCHIKEY>
JLQNHALFVCURHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
255.7765694

> <PUBCHEM_MOLECULAR_FORMULA>
S8

> <PUBCHEM_MOLECULAR_WEIGHT>
256.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
S1SSSSSSS1

> <PUBCHEM_OPENEYE_ISO_SMILES>
S1SSSSSSS1

> <PUBCHEM_CACTVS_TPSA>
202

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.7765694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$