25523
  -OEChem-05042420222D

  9  5  0     0  0  0  0  0  0999 V2000
    3.4142    1.1642    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    2.8284    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.7071    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.7071    1.4142    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.4142    2.1213    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1213    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4142    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4142    1.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  6   2   2   3   2   5  -1   6  -1   7  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25523

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
21.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAgAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dicalcium;oxocalcium;silicate

> <PUBCHEM_IUPAC_CAS_NAME>
dicalcium;oxocalcium;silicate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dicalcium;oxocalcium;silicate

> <PUBCHEM_IUPAC_NAME>
dicalcium;oxocalcium;silicate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dicalcium;oxidanylidenecalcium;silicate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dicalcium;ketocalcium;orthosilicate

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

> <PUBCHEM_IUPAC_INCHIKEY>
BCAARMUWIRURQS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
227.8392722

> <PUBCHEM_MOLECULAR_FORMULA>
Ca3O5Si

> <PUBCHEM_MOLECULAR_WEIGHT>
228.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-][Si]([O-])([O-])[O-].O=[Ca].[Ca+2].[Ca+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-][Si]([O-])([O-])[O-].O=[Ca].[Ca+2].[Ca+2]

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.8392722

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$