526616
 OpenBabel05082101102D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.6723   -0.9487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    2.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    1.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    2.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0671    3.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    1.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0606    0.3279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245   -1.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369    1.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.4281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -3.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -3.6075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -2.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176    3.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
526616

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
178

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMABgAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAGgQAAAAACASk0AKyBYAABECIAKhSgAAGCAAkIAAIiBsGCMgMJjKENRqCGSCkwBEIqYaIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-furylmethyldisulfanyl)-2-methyl-furan

>  <PUBCHEM_IUPAC_CAS_NAME>
3-(2-furanylmethyldisulfanyl)-2-methylfuran

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-(furan-2-ylmethyldisulfanyl)-2-methylfuran

>  <PUBCHEM_IUPAC_NAME>
3-(furan-2-ylmethyldisulfanyl)-2-methylfuran

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(furan-2-ylmethyldisulfanyl)-2-methyl-furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-furfuryldisulfanyl)-2-methyl-furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10O2S2/c1-8-10(4-6-11-8)14-13-7-9-3-2-5-12-9/h2-6H,7H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
FVCZDGBJCOHRKY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.5

>  <PUBCHEM_EXACT_MASS>
226.012222

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H10O2S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
226.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CO1)SSCC2=CC=CO2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CO1)SSCC2=CC=CO2

>  <PUBCHEM_CACTVS_TPSA>
76.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.012222

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <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
13  14  8
3  12  8
3  6  8
4  14  8
4  8  8
5  6  8
5  9  8
8  10  8
9  12  8

$$$$
