69019657
  -OEChem-04252422572D

 24 23  0     0  0  0  0  0  0999 V2000
    1.8694    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0033    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8694    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    4.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    5.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    6.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    4.1831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    7.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    5.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    6.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  CHG  3   2   1   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
69019657

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
152

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOCBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwBsAAAgCAAiBCACACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;naphthalen-1-ol;sulfite

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;1-naphthalenol;sulfite

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;naphthalen-1-ol;sulfite

> <PUBCHEM_IUPAC_NAME>
sodium;naphthalen-1-ol;sulfite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;naphthalen-1-ol;sulfite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;1-naphthol;sulfite

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O.Na.H2O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;;1-4(2)3/h1-7,11H;;(H2,1,2,3)/q;+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
KIDKHIUFCDKGAZ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
247.00409919

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8NaO4S-

> <PUBCHEM_MOLECULAR_WEIGHT>
247.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2O.[O-]S(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2O.[O-]S(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.00409919

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  14  8
15  16  8
7  11  8
7  8  8
7  9  8
8  10  8
8  12  8
9  13  8

$$$$