Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-

CAS Registry Number®

62280-34-6
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CAS Name

Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-

Molecular Formula

C30H21FeN3O15.3H

Cite this Page

Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62280-34-6 (retrieved 2024-04-30) (CAS RN: 62280-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H27N3O15.Fe/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38;/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42);/q;+3/p-3/t16-,17-,18?;/m0./s1

InChIKey

InChIKey=NGILTSZTOFYVBF-VITBPMONSA-K

SMILES

O=C1C2=C3[O-][Fe+3]456([O-]C=7C([O-]4)=CC=CC7C(=O)NC8C(=O)OC[C@](NC(=O)C9=C([O-]5)C([O-]6)=CC=C9)(C(=O)OC[C@](N1)(C(=O)OC8)[H])[H])[O-]C3=CC=C2.[H+]

Canonical SMILES

[H+].O=C1OCC2NC(=O)C=3C=CC=C4[O-][Fe+3]567([O-]C8=CC=CC(C(=O)NC1COC(=O)C(NC(=O)C=9C=CC=C([O-]5)C9[O-]6)COC2=O)=C8[O-]7)[O-]C43

Other Names for this Substance

  • Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, hydrogen (1:3), (OC-6-22)-
  • Ferrate(3-), [[N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]](6-)]-, trihydrogen, (OC-6-22)-
  • Benzamide, N,N′,N′′-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-, iron complex, [3S-(3R*,7R*,11R*)]-
  • 1,5,9-Trioxacyclododecane, benzamide deriv., iron complex
  • 1,5,9-Trioxacyclododecane, ferrate(3-) deriv.

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