3000709
  -OEChem-04262405372D

 34 37  0     0  0  0  0  0  0999 V2000
   11.2558    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7115    0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9267   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9038   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1438   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 21  2  0  0  0  0
 17 25  1  0  0  0  0
 18 22  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3000709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
568

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4MABmAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgBQAAAGgYAAAAADAaA2CAyAYAAAAiIAqBSAAACAAAkDRAAiBkAAsgIIDKhFxCAIQAggAAoiQcIiICOhAAAoBAUAAAIAAFAICgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-benzothiophen-2-ylidene)-4-methyl-benzothiophen-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_NAME>
(2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E)-6-chloranyl-2-(6-chloranyl-4-methyl-3-oxidanylidene-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E)-6-chloro-2-(6-chloro-3-keto-4-methyl-benzothiophen-2-ylidene)-4-methyl-benzothiophen-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+

> <PUBCHEM_IUPAC_INCHIKEY>
NDDLLTAIKYHPOD-ISLYRVAYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
391.9499273

> <PUBCHEM_MOLECULAR_FORMULA>
C18H10Cl2O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
393.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC2=C1C(=O)C(=C3C(=O)C4=C(S3)C=C(C=C4C)Cl)S2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC2=C1C(=O)/C(=C\3/C(=O)C4=C(S3)C=C(C=C4C)Cl)/S2)Cl

> <PUBCHEM_CACTVS_TPSA>
84.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
391.9499273

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
11  17  8
12  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  21  8
20  22  8
7  11  8
7  15  8
8  12  8
8  16  8

$$$$