Marvin  02230613332D          

 11 11  0  0  0  0            999 V2000
   -1.9520    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665    0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    2.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665    2.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.2770    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -2.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
> <ID>
CHEBI:28420

> <NAME>
p-chloromercuribenzoic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10620; CHEBI:25821

> <SYNONYM>
PCMB; p-Chloromercuribenzoic acid; p-Chloromercuribenzoate; p-(chloromercuri)benzoic acid; 4-chloromercuriobenzoic acid; 4-chloromercuribenzoic acid; 4-carboxyphenylmercuric chloride; (p-carboxyphenyl)chloromercury

> <IUPAC_NAME>
(4-carboxyphenyl)chloromercury

> <FORMULA>
C7H5ClHgO2

> <MASS>
357.15610

> <MONOISOTOPIC_MASS>
357.96845

> <CHARGE>
0

> <SMILES>
OC(=O)c1ccc([Hg]Cl)cc1

> <INCHI>
InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1

> <INCHIKEY>
YFZOUMNUDGGHIW-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3662892

> <CAS_REGISTRY_NUMBER>
59-85-8

> <GMELIN_REGISTRY_NUMBER>
261316

> <CHEMIDPLUS>
59-85-8

> <KEGG_COMPOUND_ACCESSION>
C03444

> <PDBECHEM_ACCESSION>
BE7

$$$$