Benzenedisulfonic acid, 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-, chromium complex

68541-69-5

CAS Name

Chromate(5-), bis[5-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN¹]-4-(hydroxy-κO)-1,3-benzenedisulfonato(4-)]-, sodium hydrogen (1:4:1)

Molecular Formula

C₃₂H₂₀CrN₈O₁₆S₄.H.4Na

Other Names and Identifiers

InChI

InChI=1S/2C16H13N4O8S2.Cr.4Na/c2*1-9-14(16(22)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(23,24)25)8-13(15(12)21)30(26,27)28;;;;;/h2*2-8,21H,1H3,(H,23,24,25)(H,26,27,28);;;;;/q2*-1;+3;4*+1/p-5

InChIKey

InChIKey=BAIHVCQQQRLHHB-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2[O-][Cr+3]345([N](C=6C([O-]3)=C(S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C6)=N[C-]7C(=O4)N(N=C7C)C8=CC=CC=C8)[N](C2=CC(S(=O)(=O)[O-])=C1)=N[C-]9C(=O5)N(N=C9C)C%10=CC=CC=C%10.[H+].[Na+]

Canonical SMILES

[H+].[Na+].O=S(=O)([O-])C1=CC2=C([O-][Cr+3]345(O=C6[C-](N=[N]23)C(=NN6C=7C=CC=CC7)C)O=C8[C-](N=[N]5C=9C=C(C=C(C9[O-]4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=NN8C=%10C=CC=CC%10)C)C(=C1)S(=O)(=O)[O-]

Other Names for this Substance