1-Propanamine, 3-[(2-ethylhexyl)oxy]-, hydroxy[2-(hydroxy-κO)-3-[[[2-(hydroxy-κO)-3-nitrophenyl]methylene]amino-κN]-5-nitrobenzenesulfonato(3-)]chromate(1-)

85455-32-9

CAS Name

Chromate(1-), hydroxy[2-(hydroxy-κO)-3-[[[2-(hydroxy-κO)-3-nitrophenyl]methylene]amino-κN]-5-nitrobenzenesulfonato(3-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)

Molecular Formula

C₁₃H₇CrN₃O₁₀S.C₁₁H₂₅NO.H

Other Names and Identifiers

InChI

InChI=1S/C13H9N3O9S.C11H25NO.Cr.H2O/c17-12-7(2-1-3-10(12)16(21)22)6-14-9-4-8(15(19)20)5-11(13(9)18)26(23,24)25;1-3-5-7-11(4-2)10-13-9-6-8-12;;/h1-6,17-18H,(H,23,24,25);11H,3-10,12H2,1-2H3;;1H2/q;;+3;/p-3

InChIKey

InChIKey=QRBZIKGFFZMQNZ-UHFFFAOYSA-K

SMILES

[OH-][Cr+3]12[N](C=3C([O-]1)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C3)=CC=4C([O-]2)=C(N(=O)=O)C=CC4.[H+].C(COCCCN)(CCCC)CC

Canonical SMILES

[H+].O=N(=O)C=1C=C2C([O-][Cr+3]3([OH-])[O-]C4=C(C=CC=C4N(=O)=O)C=[N]23)=C(C1)S(=O)(=O)[O-].O(CCCN)CC(CC)CCCC

Other Names for this Substance