3038
  -OEChem-10101305022D

 22 22  0     0  0  0  0  0  0999 V2000
    2.0000    0.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -2.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3038

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjOABmAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAYQQAAACAKAUCAwAYAAAAKAACBCAHBCABAgBQAAilgAAogIICKBExCAIAAggAAIiAcAAAAAAAIAAFAAAIQABAAAoAABCAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5-dichlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-dichlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_NAME>
4,5-dichlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5-bis(chloranyl)benzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-dichlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
GJQPMPFPNINLKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
303.914604

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6Cl2N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
305.15884

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.914604

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
11  13  8
11  14  8
12  13  8
12  15  8
14  16  8
15  16  8

$$$$