60196432
  -OEChem-05042402322D

 10  7  0     0  0  0  0  0  0999 V2000
    3.9399    1.0000    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.8100    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  4  1  0  0  0  0
  5  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
M  END
> <PUBCHEM_COMPOUND_CID>
60196432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMAAGAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trichloroindigane;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
trichloroindigane;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
trichloroindigane;dihydrate

> <PUBCHEM_IUPAC_NAME>
trichloroindigane;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(chloranyl)indigane;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trichloroindigane;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3ClH.In.2H2O/h3*1H;;2*1H2/q;;;+3;;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
CDMSGDWIWMVTBA-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
255.831566

> <PUBCHEM_MOLECULAR_FORMULA>
Cl3H4InO2

> <PUBCHEM_MOLECULAR_WEIGHT>
257.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
O.O.Cl[In](Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
O.O.Cl[In](Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.831566

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$