102446
  -OEChem-05102415562D

 14 12  0     1  0  0  0  0  0999 V2000
    2.8660   -0.1645    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.7320    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6645    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.1760   -0.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
102446

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
7.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcchgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
lithium;butane

> <PUBCHEM_IUPAC_CAS_NAME>
lithium;butane

> <PUBCHEM_IUPAC_NAME_MARKUP>
lithium;butane

> <PUBCHEM_IUPAC_NAME>
lithium;butane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lithium;butane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
lithium;butane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
WGOPGODQLGJZGL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
64.08642872

> <PUBCHEM_MOLECULAR_FORMULA>
C4H9Li

> <PUBCHEM_MOLECULAR_WEIGHT>
64.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Li+].CC[CH-]C

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Li+].CC[CH-]C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
64.08642872

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$