111328
  -OEChem-04162400462D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
111328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
19.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAA4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetraiodotitanium

> <PUBCHEM_IUPAC_CAS_NAME>
tetraiodotitanium

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetraiodotitanium

> <PUBCHEM_IUPAC_NAME>
tetraiodotitanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrakis(iodanyl)titanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetraiodotitanium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
NLLZTRMHNHVXJJ-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
555.5658

> <PUBCHEM_MOLECULAR_FORMULA>
I4Ti

> <PUBCHEM_MOLECULAR_WEIGHT>
555.485

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
555.5658

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$