Chromate(1-), hydroxy[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)

CAS Registry Number®

94276-33-2

CAS Name

Chromate(1-), hydroxy[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)

Molecular Formula

C16H12CrN4O9S.C11H25NO.H

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Chromate(1-), hydroxy[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94276-33-2 (retrieved 2024-11-14) (CAS RN: 94276-33-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13N4O8S.C11H25NO.Cr.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;1-3-5-7-11(4-2)10-13-9-6-8-12;;/h2-8,22H,1H3,(H,17,23)(H,26,27,28);11H,3-10,12H2,1-2H3;;1H2/q-1;;+3;/p-2

InChIKey

InChIKey=RAAFHFXDYCJBDH-UHFFFAOYSA-L

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Cr+3]([OH-])([O-]2)O=C(C)[C-](C(NC4=CC=CC=C4)=O)N3)=CC(N(=O)=O)=C1.[H+].C(COCCCN)(CCCC)CC

Canonical SMILES

[H+].O=C(NC=1C=CC=CC1)[C-]2N=[N]3C=4C=C(C=C(C4[O-][Cr+3]3([OH-])O=C2C)S(=O)(=O)[O-])N(=O)=O.O(CCCN)CC(CC)CCCC

Other Names for this Substance

  • Chromate(1-), hydroxy[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)
  • Chromate(1-), hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1)
  • Chromate(1-), hydroxy[2-(hydroxy-κO)-5-nitro-3-[[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]azo-κN1]benzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1)
  • Benzenesulfonic acid, 2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, methyl ester, chromium complex
  • 1-Propanamine, 3-[(2-ethylhexyl)oxy]-, hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]chromate(1-)

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