70007884
  -OEChem-05092405062D

 24 24  0     0  0  0  0  0  0999 V2000
    2.8660   -1.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70007884

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwOCBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwBsAAAgCAAiBCADACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAfAwLAOgQABAAAYAAACAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;(4-hydroxy-1-naphthyl) sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;(4-hydroxy-1-naphthalenyl) sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;(4-hydroxynaphthalen-1-yl) sulfate

> <PUBCHEM_IUPAC_NAME>
sodium;(4-hydroxynaphthalen-1-yl) sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;(4-oxidanylnaphthalen-1-yl) sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;(4-hydroxy-1-naphthyl) sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O5S.Na/c11-9-5-6-10(15-16(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
QJSDERGYLJJAMD-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
261.99118878

> <PUBCHEM_MOLECULAR_FORMULA>
C10H7NaO5S

> <PUBCHEM_MOLECULAR_WEIGHT>
262.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)[O-])O.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)[O-])O.[Na+]

> <PUBCHEM_CACTVS_TPSA>
95

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.99118878

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  15  8
16  17  8
8  10  8
8  12  8
8  9  8
9  11  8
9  13  8

$$$$