5,7-Dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3-(sulfooxy)-4H-1-benzopyran-4-one

CAS Registry Number®

108909-05-3

CAS Name

5,7-Dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3-(sulfooxy)-4H-1-benzopyran-4-one

Molecular Formula

C15H10O13S2

Molecular Mass

462.36

Cite this Page

5,7-Dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3-(sulfooxy)-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108909-05-3 (retrieved 2024-12-12) (CAS RN: 108909-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)

InChIKey

InChIKey=CVENNDDRCHLONB-UHFFFAOYSA-N

SMILES

O(S(=O)(=O)O)C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OS(=O)(=O)O)=C(O)C=C3

Canonical SMILES

O=C1C(OS(=O)(=O)O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OS(=O)(=O)O)C3

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3-(sulfooxy)-
  • 5,7-Dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3-(sulfooxy)-4H-1-benzopyran-4-one
  • Quercetin 3,3′-disulfate

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background