6364518
  -OEChem-05102418272D

 44 44  0     0  0  0  0  0  0999 V2000
    5.4641   -2.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.5242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.8602    2.5308    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923    3.0275    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6315    1.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6249    3.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    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
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.5347    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
    7.2641    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9792    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
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  2  0  0  0  0
  1 29  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  2  0  0  0  0
  3 25  1  0  0  0  0
  6 24  2  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  3  0  0  0
 17 28  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 39  1  0  0  0  0
 31 33  1  0  0  0  0
 31 40  1  0  0  0  0
 32 33  2  0  0  0  0
 32 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  CHG  4   4   1   5   1   7  -1  10  -1
M  END
> <PUBCHEM_COMPOUND_CID>
6364518

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1020

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7PDBgAAAAQAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgUYCAAADAyB2AAwwYBiAAKoA6RyQHDSBEAgAgCYjBkgZNgIILKAlZGAIBBgmAAIyYcYiICOkAAAgAAQAAAgAAEAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;4-[(2-arsonophenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_NAME>
disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;4-[(2-arsonophenyl)hydrazono]-3-keto-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,18H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
ZQMPNLOZJUWHSA-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
575.886645

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11AsN2Na2O10S2

> <PUBCHEM_MOLECULAR_WEIGHT>
576.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
230

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
575.886645

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  20  1
18  19  8
18  26  8
19  23  8
23  25  8
25  27  8
26  27  8
28  29  8
28  30  8
29  31  8
30  32  8
31  33  8
32  33  8

$$$$