sodium 4-((3-(2,6-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (Q27251834)

Sodium 4-[(E)-{3-[(E)-(2,6-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl]benzenesulfonate (English)

14 October 2016

chemical formula

C₂₀H₁₇N₄NaO₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=CC(=C1N=NC2=C(C=CC(=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])O)C.[Na+]

1 reference

sodium 4-((3-(2,6-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (English)

14 October 2016

isomeric SMILES

CC1=CC=CC(=C1/N=N/C2=C(C=CC(=C2O)/N=N/C3=CC=C(C=C3)S(=O)(=O)[O-])O)C.[Na+]

1 reference

sodium 4-((3-(2,6-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (English)

InChI=1S/C20H18N4O5S.Na/c1-12-4-3-5-13(2)18(12)23-24-19-17(25)11-10-16(20(19)26)22-21-14-6-8-15(9-7-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1/b22-21+,24-23+;

14 October 2016

Identifiers

InChI

1 reference

sodium 4-((3-(2,6-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (English)

NXRUWBZEGPUXQT-HQHRKKNHSA-M

14 October 2016

InChIKey

1 reference

sodium 4-((3-(2,6-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (English)

14 October 2016

1 reference

Sodium 4-[(E)-{3-[(E)-(2,6-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl]benzenesulfonate (English)

14 October 2016

1 reference