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

85392-59-2

CAS Name

[μ-[2-(Hydroxy-κO)-3-[2-[5-[[2-hydroxy-4-(hydroxy-κO)-5-[2-[2-(hydroxy-κO)-3-nitro-5-sulfophenyl]diazenyl-κN¹]phenyl]methyl]-2-(hydroxy-κO)-4-hydroxyphenyl]diazenyl-κN¹]-5-nitrobenzenesulfonato(6-)]]diiron

Molecular Formula

C₂₅H₁₂Fe₂N₆O₁₆S₂

Other Names and Identifiers

InChI

InChI=1S/C25H18N6O16S2.2Fe/c32-19-8-21(34)14(26-28-16-4-12(30(38)39)5-23(25(16)37)49(45,46)47)2-10(19)1-11-3-15(22(35)9-20(11)33)27-29-17-6-13(48(42,43)44)7-18(24(17)36)31(40)41;;/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47);;/q;2*+3/p-6

InChIKey

InChIKey=CSKNPQXSHYOIEH-UHFFFAOYSA-H

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Fe+3]([O-]2)[O-]C=4C(N3)=CC(CC=5C=C6[N]=7[Fe+3]([O-]C6=CC5O)[O-]C=8C(N7)=CC(S(=O)(=O)[O-])=CC8N(=O)=O)=C(O)C4)=CC(N(=O)=O)=C1

Canonical SMILES

O=N(=O)C1=CC2=C([O-][Fe+3]3[O-]C4=CC(O)=C(C=C4N=[N]23)CC5=CC6=C([O-][Fe+3]7[O-]C8=C(N=[N]67)C=C(C=C8N(=O)=O)S(=O)(=O)[O-])C=C5O)C(=C1)S(=O)(=O)[O-]

Other Names for this Substance