23665720
  -OEChem-05052406162D

 24 24  0     0  0  0  0  0  0999 V2000
    3.0000   -1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.9050    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528   -1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528    2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018   -0.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018    1.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23665720

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
327

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMCBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHAQQAAAADAiBWAAwwcBAAAKAAiRCQHDCAEAgAgAIiBgAZIgIICKAkZGAIABgkAAIyAcQgIAOgAQAwAAWAAAACAGAACwAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;4-aminonaphthalene-1-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;4-amino-1-naphthalenesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;4-aminonaphthalene-1-sulfonate

> <PUBCHEM_IUPAC_NAME>
sodium;4-aminonaphthalene-1-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;4-azanylnaphthalene-1-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;dansate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
JWSRMCCRAJUMLX-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
245.01225857

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8NNaO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
245.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]

> <PUBCHEM_CACTVS_TPSA>
91.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
245.01225857

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$