oxophenarsine
  CDK     0223171732
null
 10 10  0  0  0  0  0  0  0  0999 V2000
    1.0707   -0.7370    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -1.1484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -0.7370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -2.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:134860

> <NAME>
oxophenarsine

> <STAR>
2

> <SYNONYM>
treparsen; oxophenarsine hydrochloride; oxophenarsine HCl; oxiarsolan; metarsen; mapharside; mapharsen; arsphenoxide; arsenoxide

> <FORMULA>
C6H6AsNO2

> <MASS>
199.039

> <MONOISOTOPIC_MASS>
198.96145

> <CHARGE>
0

> <SMILES>
[As](=O)C1=CC(N)=C(C=C1)O

> <INCHI>
InChI=1S/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2

> <INCHIKEY>
KVGGQNNGLOIZSK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
538-03-4

$$$$