6352
  -OEChem-05191300142D

  3  1  0     0  0  0  0  0  0999 V2000
    2.5000    0.4330    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4330    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
6352

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;acetylide

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;acetylide

> <PUBCHEM_IUPAC_NAME>
calcium;acetylide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;acetylide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;acetylide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2.Ca/c1-2;/q-2;+2

> <PUBCHEM_IUPAC_INCHIKEY>
UIXRSLJINYRGFQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
63.962591

> <PUBCHEM_MOLECULAR_FORMULA>
C2Ca

> <PUBCHEM_MOLECULAR_WEIGHT>
64.0994

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#[C-].[Ca+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#[C-].[Ca+2]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
63.962591

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$