23721617
  -OEChem-05132407522D

 35 36  0     0  0  0  0  0  0999 V2000
    3.7320   -3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    1.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    4.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    3.8329    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 15  1  0  0  0  0
  3 14  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 13  2  0  0  0  0
 10 14  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 23  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 24  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  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>
23721617

> <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>
AAADccB7OCBAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgQYAAAADAyB2AAwwYBiAAKoA6RyQHDSBEAkAgAYiBkwZNgIILKAlZGAIQBgmAAIyYcYiICOgAQAAAAQAAAACAAAACAAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
HMWJVUNISIEXFR-MWIGPOFTSA-M

> <PUBCHEM_EXACT_MASS>
350.03372229

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N2NaO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
350.3

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=O)C=C/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=C1.[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  23  8
15  21  8
15  22  8
17  24  8
19  21  8
20  22  8
23  24  8
9  10  8
9  13  8

$$$$