2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
CAS Registry Number®
518-41-2
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CAS Name
2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acidMolecular Formula
C20H12O7Molecular Mass
364.31Cite 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/ChemicalDetail.aspx?ref=518-41-2 (retrieved ) (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
