82222
  -OEChem-05062414062D

  4  3  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
82222

> <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>
AAADcQAAAAAAAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
triiodoalumane

> <PUBCHEM_IUPAC_CAS_NAME>
triiodoalumane

> <PUBCHEM_IUPAC_NAME_MARKUP>
triiodoalumane

> <PUBCHEM_IUPAC_NAME>
triiodoalumane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(iodanyl)alumane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triiodoalumane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.3HI/h;3*1H/q+3;;;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
CECABOMBVQNBEC-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
407.6950

> <PUBCHEM_MOLECULAR_FORMULA>
AlI3

> <PUBCHEM_MOLECULAR_WEIGHT>
407.6949

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Al](I)(I)I

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Al](I)(I)I

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.6950

> <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

$$$$