11062022
  -OEChem-05052400322D

 17 13  0     0  0  0  0  0  0999 V2000
    0.8660    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.1160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.1160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.2320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1160    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6160    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 16  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11062022

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
27.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAHHBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbon tetrachloride;tribromoalumane

> <PUBCHEM_IUPAC_CAS_NAME>
tetrachloromethane;tribromoalumane

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetrachloromethane;tribromoalumane

> <PUBCHEM_IUPAC_NAME>
tetrachloromethane;tribromoalumane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrakis(chloranyl)methane;tris(bromanyl)alumane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbon tetrachloride;tribromoalumane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CCl4.3Al.9BrH/c2-1(3,4)5;;;;;;;;;;;;/h;;;;9*1H/q;3*+3;;;;;;;;;/p-9

> <PUBCHEM_IUPAC_INCHIKEY>
ZLQKFNSDDBLGCW-UHFFFAOYSA-E

> <PUBCHEM_EXACT_MASS>
953.07392

> <PUBCHEM_MOLECULAR_FORMULA>
CAl3Br9Cl4

> <PUBCHEM_MOLECULAR_WEIGHT>
953.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(Cl)(Cl)(Cl)Cl.[Al](Br)(Br)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(Cl)(Cl)(Cl)Cl.[Al](Br)(Br)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
943.08506

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

$$$$