23682006
  -OEChem-05122402152D

 35 36  0     0  0  0  0  0  0999 V2000
    4.5981   -3.0173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5173    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -3.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    4.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  3 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 17 24  1  0  0  0  0
 17 27  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 20 29  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23682006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
619

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OCBAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgQYAAAADAyB2AAwwYBiAAKoA6RyQHDSBEAgAgAYiBkgZNgIILKAlZGAIABgmAAIyYcYiICOgAQAAAAQAAAACAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;4-[(2<I>E</I>)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

> <PUBCHEM_IUPAC_NAME>
sodium;4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-16+;

> <PUBCHEM_IUPAC_INCHIKEY>
IGQFKZCLTLAWLO-HYNBPGMHSA-M

> <PUBCHEM_EXACT_MASS>
350.03372229

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N2NaO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
350.3

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

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

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.03372229

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
2  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
12  19  8
12  20  8
13  21  8
13  22  8
14  23  8
17  24  8
19  21  8
20  22  8
23  24  8
9  10  8
9  14  8

$$$$