RefChem:897522

tetrasodium;chromium(3+);hydron;bis(5-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate)

Also Known As: Chromate(5-), bis(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-3-benzenedisulfonato(4-))-, tetrasodium hydrogen|Chromate(5-), bis(5-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,3-benzenedisulfonato(4-))-, sodium hydrogen (1:4:1)|Chromate(5-), bis[5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-benzenedisulfonato(4-)]-, tetrasodium hydrogen|Tetrasodium hydrogen bis(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-x,3-disulphonato(4-))chromate(5-)|Tetrasodium hydrogen bis[5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzene-x,3-disulphonato(4-)]chromate(5-)|271-349-6|Chromium(3+) hydrogen sodium 5-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate (1/1/4/2)|tetrasodium; chromium(3+); hydron; 5-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate

Molecular Formula	C32H21CrN8Na4O16S4
Molecular Weight	1044.8954 g/mol
LogP	-10.77096
Topological Polar Surface Area	440.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	22
Rotatable Bonds	6
Exact Mass	1044.8954
Monoisotopic Mass	1044.8954
Heavy Atoms	65
Complexity	808.0

Chemical Identifiers

CAS Number	68541-69-5
SMILES	[H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Na+].[Na+].[Cr+3]
InChIKey	JIVPUYTVDIRMBI-UHFFFAOYSA-G