54708774
  -OEChem-04232408472D

 31 32  0     0  0  0  0  0  0999 V2000
    2.8660   -3.7673    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7673    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  CHG  2   1   1  20  -1
M  END
> <PUBCHEM_COMPOUND_CID>
54708774

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
512

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7ICAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAYAAAADAyBmAAwAIBiAACoA6RyQACSAAAgAgAYiAEgANgIILKAFRCAIAAgmAAIiYcIiICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;(1Z)-1-(phenylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;(1Z)-1-(phenylhydrazinylidene)-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;(1<I>Z</I>)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
sodium;(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;(1Z)-1-(phenylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11N2O.Na/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;/h2-11,17H;/q-1;+1/b18-16-;

> <PUBCHEM_IUPAC_INCHIKEY>
KUYFFOKAUVPBEO-FTUZMNKQSA-N

> <PUBCHEM_EXACT_MASS>
270.07690726

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N2NaO

> <PUBCHEM_MOLECULAR_WEIGHT>
270.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=[C-]C=C3.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=[C-]C=C3.[Na+]

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.07690726

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  20  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
13  14  8
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
5  6  8
5  9  8
6  10  8
9  13  8

$$$$