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1833-57-4 | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-
CAS No: 1833-57-4 Catalog No: AG0027HI MDL No:
Product Description
Catalog Number:
AG0027HI
Chemical Name:
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-
CAS Number:
1833-57-4
Molecular Formula:
C23H20N2O5S
Molecular Weight:
436.4803
IUPAC Name:
1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonic acid
InChI:
InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)
InChI Key:
YKHGPGKCMQFZSK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O
EC Number:
217-394-7
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.109g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
436.482g/mol
Monoisotopic Mass:
436.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Using chemical reactivity to provide insights into environmental transformations of priority organic substances: the Fe⁰-mediated reduction of Acid Blue 129. | Environmental science & technology 20111215 |
| Interaction of anthraquinone dyes with lysozyme: evidences from spectroscopic and docking studies. | Journal of hazardous materials 20100315 |
| Synergistic tissue counterstaining and image segmentation techniques for accurate, quantitative immunohistochemistry. | The journal of histochemistry and cytochemistry : official journal of the Histochemistry Society 20081001 |
| Anti-human cytomegalovirus activity and toxicity of sulfonated anthraquinones and anthraquinone derivatives. | Antiviral research 19951201 |
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