Marvin  06101311332D          

 17 18  0  0  0  0            999 V2000
    7.4634   -6.0900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1782   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7521   -6.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -5.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0477   -5.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -6.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1782   -7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -6.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7521   -7.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6009   -6.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -7.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191   -6.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -7.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6078   -7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191   -7.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158   -7.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -7.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <ID>
CHEBI:34372

> <NAME>
4,4'-sulfonyldiphenol

> <DEFINITION>
A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.

> <STAR>
3

> <SYNONYM>
DHDPhS; Bisphenol S; Bis(p-hydroxyphenyl) sulfone; Bis(4-hydroxyphenyl) sulfone; 4,4'-Dihydroxydiphenyl sulfone; 1,1'-Sulfonylbis(4-hydroxybenzene)

> <IUPAC_NAME>
4,4'-sulfonyldiphenol

> <FORMULA>
C12H10O4S

> <MASS>
250.27000

> <MONOISOTOPIC_MASS>
250.02998

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)S(=O)(=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

> <INCHIKEY>
VPWNQTHUCYMVMZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
80-09-1

> <REAXYS_REGISTRY_NUMBER>
2052954

> <CHEMIDPLUS>
80-09-1

> <KEGG_COMPOUND_ACCESSION>
C14216

> <WIKIPEDIA_ACCESSION>
Bisphenol_S

> <PUBMED_CITATION>
11707948; 22591511; 23806087; 26822215; 26867649; 26994432; 27003841; 27213244; 27241191; 27273607

$$$$