61979
 OpenBabel05082101102D

 30 32  0  0  1  0  0  0  0  0999 V2000
    2.6910   -0.1771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090   -0.1771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953    1.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.7649    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    0.7739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000    0.7739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3090   -1.3527    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6910   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.7747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474   -1.7911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810   -0.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246   -1.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    1.4691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    2.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936   -2.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0648   -2.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.7739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517   -1.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -0.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685   -0.4540    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  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
61979

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
261

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMABgAAAAAAAAAAAAAAAAASJEgAAAAAAAAAASAAAAAAAAGgQAAAAACBSkwAKCAAAABAgAAAAAAAAAAQAAABAAAAAAAAAAAAIgAAACAAAEAAAgAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-tetrahydrofuran]

>  <PUBCHEM_IUPAC_CAS_NAME>
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2&apos;,3<I>a</I>-dimethylspiro[6,6<I>a</I>-dihydro-5<I>H</I>-[1,3]dithiolo[4,5-b]furan-2,3&apos;-oxolane]

>  <PUBCHEM_IUPAC_NAME>
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-tetrahydrofuran]

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
LGPJANFPSFABDB-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
232.059172

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O2S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
232.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2(CCO1)SC3CCOC3(S2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2(CCO1)SC3CCOC3(S2)C

>  <PUBCHEM_CACTVS_TPSA>
69.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.059172

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <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>
5  9  3
6  13  3
7  10  3
8  14  3

$$$$
