24425
  -OEChem-04242423582D

  7  6  0     0  0  0  0  0  0999 V2000
    3.4030    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    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  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24425

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
81.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dihydroxy(dioxo)chromium

> <PUBCHEM_IUPAC_CAS_NAME>
dihydroxy(dioxo)chromium

> <PUBCHEM_IUPAC_NAME_MARKUP>
dihydroxy(dioxo)chromium

> <PUBCHEM_IUPAC_NAME>
dihydroxy(dioxo)chromium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(oxidanyl)-bis(oxidanylidene)chromium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dihydroxy(diketo)chromium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
KRVSOGSZCMJSLX-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
117.935813

> <PUBCHEM_MOLECULAR_FORMULA>
CrH2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
118.010

> <PUBCHEM_OPENEYE_CAN_SMILES>
O[Cr](=O)(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
O[Cr](=O)(=O)O

> <PUBCHEM_CACTVS_TPSA>
74.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
117.935813

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$