4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione

CAS Registry Number®

567-95-3
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CAS Name

4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione

Molecular Formula

C15H6N4O13

Molecular Mass

450.23

Cite this Page

4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=567-95-3 (retrieved 2024-09-06) (CAS RN: 567-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2

InChIKey

InChIKey=QFCNNIIPXGJBQT-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C(C(=O)C=3C(C2=O)=C(N(=O)=O)C=C(N(=O)=O)C3O)=C(O)C(N(=O)=O)=C1CO

Canonical SMILES

O=C1C=2C(O)=C(C=C(C2C(=O)C3=C1C(O)=C(C(=C3N(=O)=O)CO)N(=O)=O)N(=O)=O)N(=O)=O

Other Names for this Substance

  • 9,10-Anthracenedione, 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-
  • Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-2,4,5,7-tetranitro-
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-2,4,5,7-tetranitro-
  • 4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione
  • Aloe purple

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