Marvin  03211115182D          

 11 11  0  0  0  0            999 V2000
   15.0377   -7.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0377   -8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3232   -7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3232   -8.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6087   -7.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6087   -8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7522   -7.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4666   -7.7182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8791   -7.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0541   -8.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1811   -8.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  1  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:61691

> <NAME>
benzenamine sulfate

> <DEFINITION>
A sulfamic acid having a phenyl group attached to nitrogen.

> <STAR>
3

> <SYNONYM>
sulfophenylamine; phenylamidosulfuric acid; Phenyl-amidoschwefelsaeure; o-sulphoaminobenzene; N-phenylsulfamic acid; aniline sulfate

> <IUPAC_NAME>
phenylsulfamic acid

> <FORMULA>
C6H7NO3S

> <MASS>
173.19000

> <MONOISOTOPIC_MASS>
173.01466

> <CHARGE>
0

> <SMILES>
OS(=O)(=O)Nc1ccccc1

> <INCHI>
InChI=1S/C6H7NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9,10)

> <INCHIKEY>
BEHLMOQXOSLGHN-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2209482

> <KEGG_COMPOUND_ACCESSION>
C06011

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