Ketcher 07311508522D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
   21.9068   -7.6537    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   18.4508   -9.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3159   -9.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3159   -8.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4508   -7.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5856   -8.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5856   -9.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7205   -7.8669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8553   -8.3665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1870   -7.8640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.0581   -8.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6902   -6.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6843   -6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9902   -7.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1251   -8.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9903   -6.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2599   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1252   -6.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2601   -6.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3950   -6.3683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5298   -6.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648   -6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5297   -7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995   -6.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6646   -8.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  3  4  2  0     0  0
  2  7  2  0     0  0
  6  8  1  0     0  0
  9  8  2  0     0  0
  7  6  1  0     0  0
  4 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 10 13  2  0     0  0
 15 14  1  0     0  0
 16 14  2  0     0  0
 17 15  2  0     0  0
 18 16  1  0     0  0
 19 17  1  0     0  0
 19 18  2  0     0  0
  9 14  1  4     0  0
 19 20  1  0     0  0
 22 21  1  0     0  0
 23 21  2  0     0  0
 24 22  2  0     0  0
 25 23  1  0     0  0
 26 24  1  0     0  0
 26 25  2  0     0  0
 20 21  1  0     0  0
M  CHG  2   1   1  11  -1
M  END
> <ID>
CHEBI:87235

> <NAME>
metanil yellow

> <DEFINITION>
An organic sodium salt having 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used in one variant of Masson's trichrome to stain collagen yellow in contrast to the red muscle, but is not in common used.

> <STAR>
3

> <SYNONYM>
tropaeolin G; Sodium m-sulfonate-p-phenylazodiphenylamine; Sodium m-(4-anilinophenylazo)benzenesulfonate; Sodium 4'-anilinoazobenzene-3-sulfonate; C.I. Acid Yellow 36 monosodium salt; C.I. Acid Yellow 36; C.I. 13065; acid yellow 36

> <IUPAC_NAME>
sodium 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate

> <FORMULA>
C18H14N3NaO3S

> <MASS>
375.37700

> <MONOISOTOPIC_MASS>
375.06536

> <CHARGE>
0

> <SMILES>
[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1

> <INCHI>
InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1

> <INCHIKEY>
NYGZLYXAPMMJTE-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
587-98-4

> <REAXYS_REGISTRY_NUMBER>
3831568

> <CHEMIDPLUS>
587-98-4

> <PUBMED_CITATION>
21112608; 21470774; 24748737

$$$$