2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

CAS Registry Number®

518-41-2

CAS Name

2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

Molecular Formula

C20H12O7

Molecular Mass

364.31

Cite this Page

2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=518-41-2 (retrieved 2024-11-22) (CAS RN: 518-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H12O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h1-8,21,23-24H,(H,25,26)

InChIKey

InChIKey=QCGYJIWVJKJCCH-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C=3C(OC=4C2C=CC(=O)C4O)=C(O)C(O)=CC3)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1C2=C3C=CC(=O)C(O)=C3OC=4C(O)=C(O)C=CC42

Other Names for this Substance

  • Benzoic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-
  • 2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
  • NSC 158916
  • 2-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)benzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration