16682839
  -OEChem-04262414122D

 26 26  0     1  0  0  0  0  0999 V2000
    4.5981    3.5600    0.0000 Bi  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 As  0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  4 25  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16682839

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAQAAAACAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgEQCAAACAihkAIwwILAAgCIACVSUAKCAAAhAgCIjABAZIgKMCLAkZGEIBhglADYyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxy-arsinic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[(2-hydroxy-1-oxoethyl)amino]phenyl]-oxobismuthinyloxyarsinic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid

> <PUBCHEM_IUPAC_NAME>
[4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-(2-oxidanylethanoylamino)phenyl]-oxidanylidenebismuthanyloxy-arsinic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-(glycoloylamino)phenyl]-ketobismuthinyloxy-arsinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FATAHBJTOKXSDH-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
498.94498

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9AsBiNO6

> <PUBCHEM_MOLECULAR_WEIGHT>
499.06

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O[Bi]=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O[Bi]=O

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.94498

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  12  8
10  13  8
11  14  8
11  15  8
12  14  8
13  15  8

$$$$