Mrv0541 02241205062D          

 30 18  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    3.3589    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0625    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5504   -2.0625    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1007   -2.0625    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    7.8152   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9366   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.6511   -2.0625    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   11.3656   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.2895    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.7020    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -4.2895    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5504   -4.7020    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -4.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059   -5.1414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2684   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7470   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3345   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7470   -5.1414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5095   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4   2   5  -1   8  -1  11  -1  14  -1
M  CHG  4  17  -1  20  -1  25  -1  29  -1
M  END
> <DATABASE_ID>
CHEM001042

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cu++].[Cu++].[Cu++].[Cu++].[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.6AsHO2.4Cu/c2*1-2(3)4;6*2-1-3;;;;/h2*1H3,(H,3,4);6*(H,2,3);;;;/q;;;;;;;;4*+2/p-8

> <INCHI_KEY>
HTSABAUNNZLCMN-UHFFFAOYSA-F

> <FORMULA>
C4H6As6Cu4O16

> <MOLECULAR_WEIGHT>
1013.794

> <EXACT_MASS>
1011.213566962

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetracopper(2+) ion diacetate hexaoxoarsinite

> <JCHEM_LOGP>
-0.2233457143333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tetracopper(2+) ion diacetate hexakis(dihydridodioxidoarsenate(1-))

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1219

> <NAME>
Copper(II) acetoarsenite

> <CAS>
12002-03-8

> <SYNONYMS>
(acetato)trimetaarsenitodicopper; (acetato-o)(trimetaarsenito)dicopper; Alizarin green; Basle green; Copper acetate arsenite; Copper aceto-arsenite; Copper acetoarsenite; Copper(II) acetate meta-arsenate; Cupric acetoarsenite; Genuine paris green; Imperial green; King's green; Meadow green; Mineral green; Mitis green; Moss green; Mountain green; Neuwied green; New green; Ortho p-g bait; Paris green; Parrot green; Patent green; Powder green; Schweinfurt green; Schweinfurtergrun; Schweinfurth green; Sowbug cutworm control; Swedish green; Vienna green; Wuerzberg green; Zwickau green

> <TYPES>
Arsenic Compound; Organic Compound; Pesticide; Copper Compound; Organometallic; Synthetic Compound

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