69594
  -OEChem-04242400082D

 22 22  0     0  0  0  0  0  0999 V2000
    6.8671    0.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69594

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjOABkAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAYQQAAACAKAUCAwAYAAAAKAACBCAHBCABAgBQAIiBgAAogIICKBExCAIAAggAAIiAcAAAAAAAIAAEAAAIAABAAAgAABAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-chlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_NAME>
4-chlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranylbenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-chlorobenzene-1,3-disulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
NENBAISIHCWPKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.7

> <PUBCHEM_EXACT_MASS>
269.9535767

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7ClN2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.7

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

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

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.9535767

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  12  8
10  13  8
11  12  8
11  14  8
13  15  8
14  15  8

$$$$