16684438
  -OEChem-05132403442D

 28 26  0     0  0  0  0  0  0999 V2000
    4.8671    1.0369    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    4.6171    4.0739    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.7331    1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    0.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    0.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    2.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    2.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    1.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5072    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872    2.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
16684438

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
63.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBgOCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAIIAAACggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_NAME>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;bis(2-methoxyethoxy)alumanuide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C3H7O2.Al.Na.2H/c2*1-5-3-2-4;;;;/h2*2-3H2,1H3;;;;/q2*-1;2*+1;;

> <PUBCHEM_IUPAC_INCHIKEY>
XJIQVZMZXHEYOY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
202.0761667

> <PUBCHEM_MOLECULAR_FORMULA>
C6H16AlNaO4

> <PUBCHEM_MOLECULAR_WEIGHT>
202.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCO[AlH2-]OCCOC.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCO[AlH2-]OCCOC.[Na+]

> <PUBCHEM_CACTVS_TPSA>
36.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.0761667

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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_COORDINATE_TYPE>
1
5
255

$$$$