6432805
  -OEChem-05072406402D

 19 19  0     1  0  0  0  0  0999 V2000
    3.0000    1.6550    0.0000 As  0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.6550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.9650    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  6  1  0  0  0  0
  2 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
6432805

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
168

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAQAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAEQCAAACAiBEAAwwIBAAACAACRCQACCAAAgAgCIjAAAZIgIICKAkZGAIBBgkAAIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-azaniumylphenyl)-hydroxy-arsinate

> <PUBCHEM_IUPAC_CAS_NAME>
(4-ammoniophenyl)-hydroxyarsinate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-azaniumylphenyl)-hydroxyarsinate

> <PUBCHEM_IUPAC_NAME>
(4-azaniumylphenyl)-hydroxyarsinate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-azaniumylphenyl)-oxidanyl-arsinate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-ammoniophenyl)-hydroxy-arsinate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
XKNKHVGWJDPIRJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
216.972013

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8AsNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
217.05

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1[NH3+])[As](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1[NH3+])[As](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
88

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.972013

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

> <PUBCHEM_BONDANNOTATIONS>
6  8  8
6  9  8
7  10  8
7  11  8
8  10  8
9  11  8

$$$$