60140903
  -OEChem-05082416222D

 26 24  0     1  0  0  0  0  0999 V2000
    3.2320    0.6160    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  5  3  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
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60140903

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
61.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADgCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_NAME>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,3-trimethylpentane;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H17.Y/c1-6-7(2)8(3,4)5;/h6H2,1-5H3;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
XNIYQLZKHPNLMR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
202.038864

> <PUBCHEM_MOLECULAR_FORMULA>
C8H17Y-

> <PUBCHEM_MOLECULAR_WEIGHT>
202.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC[C-](C)C(C)(C)C.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C-](C)C(C)(C)C.[Y]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.038864

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$