5246420
  -OEChem-04252421232D

 45 44  0     0  0  0  0  0  0999 V2000
    5.0981   -1.4636    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5976    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    0.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    0.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932   -1.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -1.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -1.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    0.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    0.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    1.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081    2.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    2.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881   -2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5246420

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
207

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAhAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAEAADESAgAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tritert-butoxy(sulfanyl)silane

> <PUBCHEM_IUPAC_CAS_NAME>
mercapto-tris[(2-methylpropan-2-yl)oxy]silane

> <PUBCHEM_IUPAC_NAME_MARKUP>
tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane

> <PUBCHEM_IUPAC_NAME>
tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris[(2-methylpropan-2-yl)oxy]-sulfanyl-silane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tritert-butoxy(mercapto)silane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZVUGYOCGLCLJAV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
280.15284246

> <PUBCHEM_MOLECULAR_FORMULA>
C12H28O3SSi

> <PUBCHEM_MOLECULAR_WEIGHT>
280.50

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)S

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)S

> <PUBCHEM_CACTVS_TPSA>
28.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.15284246

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

$$$$