RefChem:576412

5-[(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinylidene]-3-(dioxidoamino)-6-oxocyclohexa-1,3-diene-1-sulfonate;chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;hydroxide

Also Known As: Chromate(1-), hydroxy(2-(hydroxy-kappaO)-5-nitro-3-(2-(2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(3-))-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1:1)|Chromate(1-), hydroxy(2-hydroxy-5-nitro-3-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)benzenesulfonato(3-))-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1)|Chromate(1-), hydroxy[2-(hydroxy-.kappa.O)-5-nitro-3-[[2-(oxo-.kappa.O)-1-[(phenylamino)carbonyl]propyl]azo-.kappa.N1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1)|Chromate(1-), hydroxy[2-(hydroxy-.kappa.O)-5-nitro-3-[2-[2-(oxo-.kappa.O)-1-[(phenylamino)carbonyl]propyl]diazenyl-.kappa.N1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)|Chromate(1-), hydroxy[2-(hydroxy-kappaO)-5-nitro-3-[2-[2-(oxo-kappaO)-1-[(phenylamino)carbonyl]propyl]diazenyl-kappaN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)

Molecular Formula	C27H38CrN5O10S
Molecular Weight	676.17444 g/mol
LogP	2.7058
Topological Polar Surface Area	239.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	13
Exact Mass	676.17444
Monoisotopic Mass	676.17444
Heavy Atoms	44
Complexity	1020.0

Chemical Identifiers

CAS Number	94276-33-2
SMILES	[H+].CCCCC(CC)COCCCN.CC(=O)C(=NN=C1C=C(C=C(C1=O)S(=O)(=O)[O-])N([O-])[O-])C(=O)NC2=CC=CC=C2.[OH-].[Cr+3]
InChIKey	WLYXNCZIBOZNOO-UHFFFAOYSA-M