16211184
  -OEChem-05221308212D

 45 45  0     0  0  0  0  0  0999 V2000
    4.5981   -2.0976    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.7685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.4266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.5005    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.4583    1.4333    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.9446   -1.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    2.6345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6962    2.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    1.9299    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.2296    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    2.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    2.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.4304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -1.9483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081   -3.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
  1 30  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  3 13  2  0  0  0  0
  3 27  1  0  0  0  0
  6 26  1  0  0  0  0
  6 41  1  0  0  0  0
  7 24  2  0  0  0  0
 14 45  1  0  0  0  0
 15 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 29  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 25 27  2  0  0  0  0
 25 36  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 37  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 39  1  0  0  0  0
 32 34  1  0  0  0  0
 32 40  1  0  0  0  0
 33 34  2  0  0  0  0
 33 42  1  0  0  0  0
 34 43  1  0  0  0  0
M  CHG  4   4   1   5   1   8  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
16211184

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1060

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7PDBgAAAAQAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgUYCAAADAyB2AAwx4BiAgKoA6RyQHDSBEAkIgCYjBkmbNgIJjaClZOAcVBk+BEI2QeYyLCOkAABhAAYAAAgAAMIADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;(3Z)-3-[(2-arsonophenyl)hydrazono]-5-hydroxy-4-oxo-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;(3Z)-3-[(2-arsonophenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_NAME>
disodium;(3Z)-3-[(2-arsonophenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;(3Z)-3-[(2-arsonophenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;(3Z)-3-[(2-arsonophenyl)hydrazono]-5-hydroxy-4-keto-naphthalene-2,7-disulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13AsN2O11S2.2Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;/h1-7,18,20H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b19-15+;;

> <PUBCHEM_IUPAC_INCHIKEY>
DAGCXOKMRRZFBG-WTBAQZMLSA-L

> <PUBCHEM_EXACT_MASS>
591.881561

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11AsN2Na2O11S2

> <PUBCHEM_MOLECULAR_WEIGHT>
592.296479

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
250

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
591.881561

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
24

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
19  20  8
19  25  8
20  26  8
25  27  8
26  28  8
27  28  8
29  30  8
29  31  8
30  32  8
31  33  8
32  34  8
33  34  8

$$$$