59075687
  -OEChem-05132415162D

 19 17  0     1  0  0  0  0  0999 V2000
    6.4897   -0.6240    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929    1.1361    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -1.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -0.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.1850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5929    1.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    0.1850    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.3328   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4842   -0.5195    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.1869   -0.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577    1.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864    1.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4916    0.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -1.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1008   -0.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5490   -1.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194    0.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  CHG  2   8  -1  10  -1
M  END
> <PUBCHEM_COMPOUND_CID>
59075687

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
112

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMABAAAAAAgAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCALAAggIAACQCAAAAABAABAAAIGIAAACAAAgACAAQAAAEAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbanide;thiazolidin-2-ide-4-carboxylic acid;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
carbanide;4-thiazolidin-2-idecarboxylic acid;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
carbanide;1,3-thiazolidin-2-ide-4-carboxylic acid;yttrium

> <PUBCHEM_IUPAC_NAME>
carbanide;1,3-thiazolidin-2-ide-4-carboxylic acid;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbanide;1,3-thiazolidin-2-ide-4-carboxylic acid;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbanide;thiazolidin-2-ide-4-carboxylic acid;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6NO2S.CH3.Y/c6-4(7)3-1-8-2-5-3;;/h2-3,5H,1H2,(H,6,7);1H3;/q2*-1;

> <PUBCHEM_IUPAC_INCHIKEY>
RWMYTEGTHVVVQG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
235.941238

> <PUBCHEM_MOLECULAR_FORMULA>
C5H9NO2SY-2

> <PUBCHEM_MOLECULAR_WEIGHT>
236.10

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH3-].C1C(N[CH-]S1)C(=O)O.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH3-].C1C(N[CH-]S1)C(=O)O.[Y]

> <PUBCHEM_CACTVS_TPSA>
74.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.941238

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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  10  6
1  8  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  9  3

$$$$