23681234
  -OEChem-05082410302D

 23 22  0     1  0  0  0  0  0999 V2000
    2.8660   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23681234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMCAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACAAADBagmCIwCIAAAgCIAiDSCAACAAAgBQAIiAAACsgINiKBExCAcAAkwAEImYeAwKAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;(E)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;(E)-4-(4-chlorophenyl)-4-hydroxy-2-butenoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;(<I>E</I>)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate

> <PUBCHEM_IUPAC_NAME>
sodium;(E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;(E)-4-(4-chlorophenyl)-4-oxidanyl-but-2-enoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;(E)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9ClO3.Na/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-6,9,12H,(H,13,14);/q;+1/p-1/b6-5+;

> <PUBCHEM_IUPAC_INCHIKEY>
FOMSNJCIQOFNOT-IPZCTEOASA-M

> <PUBCHEM_EXACT_MASS>
234.0059661

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8ClNaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
234.61

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(C=CC(=O)[O-])O)Cl.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(/C=C/C(=O)[O-])O)Cl.[Na+]

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.0059661

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  13  8
12  13  8
6  3  3
7  8  8
7  9  8
8  11  8
9  12  8

$$$$