Marvin  06210614202D          

 11 11  0  0  0  0            999 V2000
    0.7145   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1250    0.0000 As  0  0  3  0  0  0  0  0  0  0  0  0
    0.8250    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  5  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  2  0  0  0  0
  6  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <ID>
CHEBI:49477

> <NAME>
arsanilic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:49476; CHEBI:29859

> <SYNONYM>
p-arsanilic acid; atoxylic acid; Arsanilsaeure; arsanilic acid; 4-arsanilic acid; 4-Aminophenylarsonsaeure; 4-AMINOPHENYLARSONIC ACID; 4-aminobenzenearsonic acid; (p-aminophenyl)arsonic acid

> <IUPAC_NAME>
(4-aminophenyl)arsonic acid

> <FORMULA>
C6H8AsNO3

> <MASS>
217.05426

> <MONOISOTOPIC_MASS>
216.97201

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)[As](O)(O)=O

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

> <INCHIKEY>
XKNKHVGWJDPIRJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1102334

> <CAS_REGISTRY_NUMBER>
98-50-0

> <GMELIN_REGISTRY_NUMBER>
406354

> <CHEMIDPLUS>
98-50-0

> <DRUGBANK_ACCESSION>
DB03006

> <NIST_CHEMISTRY_WEBBOOK>
98-50-0

> <PDBECHEM_ACCESSION>
ASR

$$$$