Marvin  05121009152D          

 25 28  0  0  0  0            999 V2000
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  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
 14  1  2  0  0  0  0
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  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
 22  4  1  0  0  0  0
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 10  8  2  0  0  0  0
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 16 10  1  0  0  0  0
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 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <ID>
CHEBI:31991

> <NAME>
phenol red

> <DEFINITION>
3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.

> <STAR>
3

> <SYNONYM>
PSP; Phenolsulfonphthalein; Phenol red; alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone; 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide; 3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide

> <IUPAC_NAME>
4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol

> <FORMULA>
C19H14O5S

> <MASS>
354.37600

> <MONOISOTOPIC_MASS>
354.05619

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1

> <INCHI>
InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H

> <INCHIKEY>
BELBBZDIHDAJOR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
326470

> <CAS_REGISTRY_NUMBER>
143-74-8

> <CHEMIDPLUS>
143-74-8

> <KEGG_COMPOUND_ACCESSION>
C12600

> <KEGG_DRUG_ACCESSION>
D01200

$$$$