Chromate(1-), (3-(((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)methylene)amino-kappaN)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(4-))-, sodium (1:1)

Catalog Number	ACM85958856
CAS	85958-85-6
Synonyms	Chromate(1-), (3-(((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)methylene)amino-kappaN)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(4-))-, sodium
Molecular Weight	569.4
Molecular Formula	C17H10CrN4NaO10S2
Canonical SMILES	CC1=NN(C(=C1C=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Cr+3]
InChI	InChI=1S/C17H14N4O10S2.Cr.Na/c1-9-13(17(23)20(19-9)10-3-2-4-12(5-10)32(26,27)28)8-18-14-6-11(21(24)25)7-15(16(14)22)33(29,30)31;/h2-8,22-23H,1H3,(H,26,27,28)(H,29,30,31);/q;+3;+1/p-4
InChI Key	CGWVOCQGWODXLK-UHFFFAOYSA-J
Purity	98%
Complexity	931
Covalently-Bonded Unit Count	3
Exact Mass	568.914109
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	568.914109
Rotatable Bond Count	3
Topological Polar Surface Area	253 Ų