NMPC 1484-Silane, trichlorodocosyl- (81761)
 OpenBabel01112406543D

 71 70  0  0  0  0  0  0  0  0999 V2000
    1.5786    0.9890    0.1049 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6109    2.1369   -0.1327 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -0.1421    2.1230 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5402    0.4339    0.2005 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -6.0364   -5.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -6.0279   -5.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8594   -5.5112   -7.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -4.6093   -6.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965   -6.3735   -8.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713   -3.7024   -4.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8829   -7.8209   -8.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -4.2283   -3.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4122   -7.9048   -8.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -4.2770   -3.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0344   -7.3670   -9.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -2.8890   -3.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5896   -8.1607  -10.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835   -1.9095   -2.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9779   -9.6370  -10.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674   -2.3540   -1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4943   -9.8489  -10.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823   -2.2894   -0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2359   -9.3474  -11.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -0.8976   -0.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7799  -10.0090  -13.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9845  -11.5158  -13.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716   -7.0507   -5.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -5.4400   -5.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710   -6.6650   -6.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305   -6.4934   -4.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -5.4645   -7.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548   -4.4739   -7.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -4.1645   -6.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -4.6550   -6.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7433   -5.9235   -9.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054   -6.3665   -8.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -3.5982   -4.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -2.6856   -5.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670   -8.4160   -9.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4817   -8.2925   -7.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969   -5.2256   -3.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -3.6084   -2.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -8.9420   -8.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228   -7.3545   -7.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -4.9387   -4.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -4.7432   -2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1245   -7.3760   -9.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7812   -6.3110   -9.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -2.4709   -4.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -2.9852   -3.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0153   -7.7000  -11.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5050   -8.0846  -10.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934   -1.7923   -2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703   -0.9146   -2.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570  -10.1703  -11.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5128  -10.1109   -9.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -3.3756   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316   -1.7488   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6998  -10.9118  -10.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9083   -9.3511   -9.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -2.9935   -1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732   -2.6582    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3093   -9.5159  -11.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1178   -8.2596  -11.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422   -0.5447   -2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935   -1.0321   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3461   -9.5775  -13.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7262   -9.7837  -13.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0321  -11.7600  -12.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7117  -11.9442  -14.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3666  -12.0017  -12.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 19  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 22  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 23  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 24  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 25  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
81761

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
267

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
20

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAgGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBAAAAAgCACAIABCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
trichloro(docosyl)silane

>  <PUBCHEM_IUPAC_CAS_NAME>
trichloro(docosyl)silane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
trichloro(docosyl)silane

>  <PUBCHEM_IUPAC_NAME>
trichloro(docosyl)silane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(chloranyl)-docosyl-silane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
behenyl(trichloro)silane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H45Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24)25/h2-22H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
ADBSXCRGUFFLBC-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
442.235611

>  <PUBCHEM_MOLECULAR_FORMULA>
C22H45Cl3Si

>  <PUBCHEM_MOLECULAR_WEIGHT>
444.0

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
442.235611

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
26

>  <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

$$$$
