11012797
  -OEChem-05102423402D

 37 37  0     0  0  0  0  0  0999 V2000
    6.4899    0.4805    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    6.6899   -0.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8574    1.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -2.3373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    0.1661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553   -0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190   -2.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7704   -2.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0955    1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4117   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9933   -3.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358    2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4268   -1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    2.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027   -3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    3.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -1.3444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849   -0.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627   -0.7091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404   -2.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203   -3.1157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5587   -3.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    2.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8511   -1.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0170    2.6239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1729   -4.0391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210    3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3268   -2.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813    4.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11012797

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
529

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAQAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAHgAQAAAADATBgAQAAALAAACIAqBWQAAAAAAgAAAICIEIAEgIQAAAAQAQAAAAkAAIgcIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
cobalt;(6Z)-6-[[2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt;(6<I>Z</I>)-6-[[2-[[(<I>Z</I>)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_NAME>
cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt;(6Z)-6-[[2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobalt;(6Z)-6-[[2-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,17-18H,9-10H2;/b13-11-,14-12-;

> <PUBCHEM_IUPAC_INCHIKEY>
FIONSUNUNBIGCA-MJBGKLQRSA-N

> <PUBCHEM_EXACT_MASS>
327.054371

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16CoN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
327.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.[Co]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C/C(=C/NCCN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1.[Co]

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
327.054371

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$