Benzenesulfonic acid, 3-[[2,4-dihydroxy-5-[(4-nitro-2-sulfophenyl)azo]phenyl]azo]-2-hydroxy-5-nitro-, iron complex

84878-22-8

CAS Name

Ferrate(1-), [3-[2-[2-(hydroxy-κO)-4-hydroxy-5-[2-(4-nitro-2-sulfophenyl)diazenyl]phenyl]diazenyl-κN¹]-2-(hydroxy-κO)-5-nitrobenzenesulfonato(4-)]-, sodium (1:1)

Molecular Formula

C₁₈H₈FeN₆O₁₃S₂.Na

Other Names and Identifiers

InChI

InChI=1S/C18H12N6O13S2.Fe.Na/c25-14-7-15(26)12(21-22-13-3-9(24(30)31)5-17(18(13)27)39(35,36)37)6-11(14)20-19-10-2-1-8(23(28)29)4-16(10)38(32,33)34;;/h1-7,25-27H,(H,32,33,34)(H,35,36,37);;/q;+3;+1/p-4

InChIKey

InChIKey=JJBNUDTUADTLBP-UHFFFAOYSA-J

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Fe+3]([O-]2)[O-]C=4C(N3)=CC(N=NC5=C(S(=O)(=O)[O-])C=C(N(=O)=O)C=C5)=C(O)C4)=CC(N(=O)=O)=C1.[Na+]

Canonical SMILES

[Na+].O=N(=O)C1=CC=C(N=NC=2C=C3N=[N]4C=5C=C(C=C(C5[O-][Fe+3]4[O-]C3=CC2O)S(=O)(=O)[O-])N(=O)=O)C(=C1)S(=O)(=O)[O-]

Other Names for this Substance