76900367
  -OEChem-04252408592D

 51 52  0     0  0  0  0  0  0999 V2000
    6.0622    5.1200    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1962    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3301    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1200    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.7109   12.4524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4548   13.4593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6049   11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709   12.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6049   10.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709   10.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   10.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109   10.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2469   12.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   10.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549   13.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529   13.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709    9.7978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738   10.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181    9.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7802   12.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   10.5849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931   13.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   12.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   14.6070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 32  1  0  0  0  0
  3 29  1  0  0  0  0
  4 35  1  0  0  0  0
  5 35  2  0  0  0  0
  7 10  1  0  0  0  0
  7 20  2  0  0  0  0
  8 11  1  0  0  0  0
  8 21  2  0  0  0  0
  9 22  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 26  2  0  0  0  0
 24 35  1  0  0  0  0
 25 30  1  0  0  0  0
 25 44  1  0  0  0  0
 26 31  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 32  2  0  0  0  0
 28 47  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
M  CHG  4   1   4   3  -1   4  -1   6  -2
M  END
> <PUBCHEM_COMPOUND_CID>
76900367

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
525

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAEAAEAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx/gAAHgIAAAAADA7BniQ8zvIIEACoAzT3TACCgCQ1NyAI2CE+ftgIZvrBl5OUMYhmwBHIyceYyOCOQCAAYAAKACCAQADAABQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(5-chloro-2-oxido-phenyl)methyleneamino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(5-chloro-2-oxidophenyl)methylideneamino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(5-chloro-2-oxidophenyl)methylideneamino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_NAME>
2-[(5-chloro-2-oxidophenyl)methylideneamino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(5-chloranyl-2-oxidanidyl-phenyl)methylideneamino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(5-chloro-2-oxido-benzylidene)amino]benzoate;oxygen(2-);1,10-phenanthroline;vanadium(4+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10ClNO3.C12H8N2.O.V/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8,17H,(H,18,19);1-8H;;/q;;-2;+4/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FZBVNIFYDCDCTQ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
520.026891

> <PUBCHEM_MOLECULAR_FORMULA>
C26H16ClN3O4V

> <PUBCHEM_MOLECULAR_WEIGHT>
520.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C(=O)[O-])N=CC2=C(C=CC(=C2)Cl)[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-2].[V+4]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C(=O)[O-])N=CC2=C(C=CC(=C2)Cl)[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-2].[V+4]

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
520.026891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
12  14  8
12  16  8
13  15  8
13  17  8
14  15  8
16  18  8
17  19  8
18  20  8
19  21  8
22  24  8
22  25  8
23  28  8
23  29  8
24  26  8
25  30  8
26  31  8
28  32  8
29  33  8
30  31  8
32  34  8
33  34  8
7  10  8
7  20  8
8  11  8
8  21  8

$$$$