60140973
  -OEChem-05042421152D

 25 22  0     1  0  0  0  0  0999 V2000
    5.2320    2.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.5000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.6340    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6340    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6340   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.5000    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    5.2320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8426    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6120    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  5 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  CHG  3   3   1   4  -1  12  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60140973

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOCIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggACCAACACIgAACCAAAAhAIQACQCIAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium

> <PUBCHEM_IUPAC_NAME>
sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;oxidanyl-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)phosphinate;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12O5P.Na.Y/c1-2-3-4-5(6(7)8)12(9,10)11;;/h2,5H,3-4H2,1H3,(H,7,8)(H2,9,10,11);;/q-1;+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FTETYTOBHCIVLJ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
305.930018

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11NaO5PY-

> <PUBCHEM_MOLECULAR_WEIGHT>
306.02

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y]

> <PUBCHEM_CACTVS_TPSA>
97.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.930018

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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_NONSTANDARDBOND>
1  12  6
3  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
9  10  3

$$$$