83581
  -OEChem-05042419372D

  4  3  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 Re  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
83581

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAGAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trichlororhenium

> <PUBCHEM_IUPAC_CAS_NAME>
trichlororhenium

> <PUBCHEM_IUPAC_NAME_MARKUP>
trichlororhenium

> <PUBCHEM_IUPAC_NAME>
trichlororhenium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(chloranyl)rhenium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trichlororhenium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3ClH.Re/h3*1H;/q;;;+3/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
LOIHSHVELSAXQN-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
291.862310

> <PUBCHEM_MOLECULAR_FORMULA>
Cl3Re

> <PUBCHEM_MOLECULAR_WEIGHT>
292.56

> <PUBCHEM_OPENEYE_CAN_SMILES>
Cl[Re](Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
Cl[Re](Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.862310

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$