66545863
  -OEChem-05082423152D

 10  7  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
66545863

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
14.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAAAAAAIAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAAABCAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
prop-1-ene;titanium;zirconium

> <PUBCHEM_IUPAC_CAS_NAME>
1-propene;titanium;zirconium

> <PUBCHEM_IUPAC_NAME_MARKUP>
prop-1-ene;titanium;zirconium

> <PUBCHEM_IUPAC_NAME>
prop-1-ene;titanium;zirconium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
prop-1-ene;titanium;zirconium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
prop-1-ene;titanium;zirconium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H5.Ti.Zr/c1-3-2;;/h1H2,2H3;;/q-1;;

> <PUBCHEM_IUPAC_INCHIKEY>
UCFIPEMSUWEKIE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
178.891765

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5TiZr-

> <PUBCHEM_MOLECULAR_WEIGHT>
180.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[C-]=C.[Ti].[Zr]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C-]=C.[Ti].[Zr]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
178.891765

> <PUBCHEM_TOTAL_CHARGE>
-1

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
2  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$