526624
 OpenBabel05082101102D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.1756    0.4568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688   -0.4568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    2.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566   -2.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3566   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    2.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7210   -0.7642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    0.0923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050   -1.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -2.7174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881   -3.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    3.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553   -2.4084    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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
526624

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
169

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMABgAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAGgQAAAAACASg0AIyBYAABECIAKhSgAAGCAAkIAAIiBsGCMgMJjKENBqCGSCkwBEIqYaIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-3-[(2-methyl-3-furyl)disulfanyl]furan

>  <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-3-[(2-methyl-3-furanyl)disulfanyl]furan

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

>  <PUBCHEM_IUPAC_NAME>
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-3-[(2-methyl-3-furyl)disulfanyl]furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
OHDFENKFSKIFBJ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3

>  <PUBCHEM_EXACT_MASS>
226.012222

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H10O2S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
226.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CO1)SSC2=C(OC=C2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CO1)SSC2=C(OC=C2)C

>  <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  14  8
3  13  8
3  7  8
4  14  8
4  8  8
5  7  8
5  9  8
6  10  8
6  8  8
9  13  8

$$$$
