1-Propanamine, 3-[(2-ethylhexyl)oxy]-, (T-4)-[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)]hydroxychromate(1-)

85443-67-0

CAS Name

Chromate(1-), [3-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN¹]-2-(hydroxy-κO)-5-nitrobenzenesulfonato(3-)]hydroxy-, (T-4)-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1:1)

Molecular Formula

C₁₆H₁₁CrN₅O₈S.C₁₁H₂₅NO.H

Other Names and Identifiers

InChI

InChI=1S/C16H12N5O7S.C11H25NO.Cr.H2O/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(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,26,27,28);11H,3-10,12H2,1-2H3;;1H2/q-1;;+3;/p-2

InChIKey

InChIKey=QDCPZIFEPCQONN-UHFFFAOYSA-L

SMILES

[OH-][Cr+3]12[N](C=3C([O-]1)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C3)=N[C-]4C(=O2)N(N=C4C)C5=CC=CC=C5.[H+].C(COCCCN)(CCCC)CC

Canonical SMILES

[H+].O=N(=O)C1=CC2=C([O-][Cr+3]3([OH-])O=C4[C-](N=[N]23)C(=NN4C=5C=CC=CC5)C)C(=C1)S(=O)(=O)[O-].O(CCCN)CC(CC)CCCC

Other Names for this Substance