Ferrate(1-), bis[4-[2-[5-(1,1-dimethylethyl)-2-(hydroxy-κO)phenyl]diazenyl-κN1]-3-(hydroxy-κO)-N-phenyl-2-naphthalenecarboxamidato(2-)]-, hydrogen (1:1)

960154-34-1

CAS Name

Ferrate(1-), bis[4-[2-[5-(1,1-dimethylethyl)-2-(hydroxy-κO)phenyl]diazenyl-κN¹]-3-(hydroxy-κO)-N-phenyl-2-naphthalenecarboxamidato(2-)]-, hydrogen (1:1)

Molecular Formula

C₅₄H₄₆FeN₆O₆.H

Other Names and Identifiers

InChI

InChI=1S/2C27H25N3O3.Fe/c2*1-27(2,3)18-13-14-23(31)22(16-18)29-30-24-20-12-8-7-9-17(20)15-21(25(24)32)26(33)28-19-10-5-4-6-11-19;/h2*4-16,31-32H,1-3H3,(H,28,33);/q;;+3/p-3

InChIKey

InChIKey=UFGULOISGWWWCA-UHFFFAOYSA-K

SMILES

C(NC1=CC=CC=C1)(=O)C2=C3[O-][Fe+3]456([N](C=7C([O-]4)=C(C(NC8=CC=CC=C8)=O)C=C9C7C=CC=C9)=NC=%10C([O-]5)=CC=C(C(C)(C)C)C%10)[N](C3=C%11C(=C2)C=CC=C%11)=NC=%12C([O-]6)=CC=C(C(C)(C)C)C%12.[H+]

Canonical SMILES

[H+].O=C(NC=1C=CC=CC1)C=2C=C3C=CC=CC3=C4C2[O-][Fe+3]567([O-]C8=CC=C(C=C8N=[N]45)C(C)(C)C)[O-]C9=CC=C(C=C9N=[N]7C=%10C([O-]6)=C(C=C%11C=CC=CC%11%10)C(=O)NC=%12C=CC=CC%12)C(C)(C)C

Other Names for this Substance