trisodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulphonate

Modify Date: 2025-09-21 18:53:23

trisodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulphonate structure	Common Name	trisodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulphonate
	CAS Number	72139-16-3	Molecular Weight	816.89400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₁₁Cl₃N₅Na₃O₁₁S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	trisodium,4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulfonate

Molecular Formula	C₂₄H₁₁Cl₃N₅Na₃O₁₁S₃
Molecular Weight	816.89400
Exact Mass	814.83800
PSA	309.97000
LogP	6.31240
InChIKey	KGWYMHSWTWJPQV-UHFFFAOYSA-K
SMILES	Nc1c(S(=O)(=O)[O-])cc(Nc2cc(Nc3nc(Cl)nc(Cl)c3Cl)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+].[Na+]

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