Mrv1572004161621572D          

 27 18  0  0  0  0            999 V2000
    0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8393    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8393   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6018   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -5.4434    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -5.4434    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  RAD  6   1   2   5   2   9   2  13   2  17   2  21   2
M  END
> <DATABASE_ID>
CHEM001070

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Sn].[Sn].[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC

> <INCHI_IDENTIFIER>
InChI=1S/6C4H9.H2O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;1H2;;

> <INCHI_KEY>
XWWXHBDNGBFEMZ-UHFFFAOYSA-N

> <FORMULA>
C24H56OSn2

> <MOLECULAR_WEIGHT>
598.131

> <EXACT_MASS>
600.23752

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
7.9910330477349065

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tributyltin oxide

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
2.1095

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
19.114

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tributyltin oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1249

> <NAME>
Bis(tributyltin) oxide

> <CAS>
56-35-9

> <SYNONYMS>
1,1,1,3,3,3-Hexabutyldistannoxane; Bis(tri-n-butyl tin)oxide; Bis(tri-n-butyltin) oxide; Bis(tri-n-butyltin)oxide; Bis(tributyl tin)oxide; Bis(tributyloxide) of tin; Bis(tributylstannium) oxide; Bis(tributylstannyl)oxide; Bis(tributyltin)oxide; Bis[tri-n-butyltin(IV)]oxide; Distannoxane, 1,1,1,3,3,3-hexabutyl-; Hexabutyl distannoxane; Hexabutylditin; Oxybis(tributylstannane); Oxybis(tributyltin); Oxybis[tributyltin]; Oxyde de tributyletain; Stannane, tri-n-butyl-, oxide; TBTO; Tin, bis(tributyl)-, oxide; Tri-n-butyltin oxide; Tributyltin oxide; Tributyltin(IV) oxide

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Pollutant; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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