44144394
  -OEChem-04232402142D

  8  4  0     0  0  0  0  0  0999 V2000
    3.2071    2.8284    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.2071    1.4142    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1642    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.9142    2.1213    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    2.1213    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9142    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  CHG  7   1   2   3   3   4   1   5  -1   6  -1   7  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
44144394

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
19.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOCgAABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
aluminum;calcium;sodium;silicate

> <PUBCHEM_IUPAC_CAS_NAME>
aluminum;calcium;sodium;silicate

> <PUBCHEM_IUPAC_NAME_MARKUP>
aluminum;calcium;sodium;silicate

> <PUBCHEM_IUPAC_NAME>
aluminum;calcium;sodium;silicate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
aluminum;calcium;sodium;silicate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
aluminum;calcium;sodium;orthosilicate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.Ca.Na.O4Si/c;;;1-5(2,3)4/q+3;+2;+1;-4

> <PUBCHEM_IUPAC_INCHIKEY>
IDZYHGDLWGVHQM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
181.8904836

> <PUBCHEM_MOLECULAR_FORMULA>
AlCaNaO4Si+2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-][Si]([O-])([O-])[O-].[Na+].[Al+3].[Ca+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-][Si]([O-])([O-])[O-].[Na+].[Al+3].[Ca+2]

> <PUBCHEM_CACTVS_TPSA>
92.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
181.8904836

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$