sodium 4-((3-(3,4-dimethylphenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)benzenesulfonate (Q27236516)

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

13 October 2016

chemical formula

C₂₀H₁₇N₄NaO₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1C)N=NC2=C(C=CC(=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])O.[Na+]

1 reference

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

13 October 2016

isomeric SMILES

CC1=CC=C(C=C1C)/N=N/C2=C(C=CC(=C2O)/N=N/C3=CC=C(C=C3)S(=O)(=O)[O-])O.[Na+]

1 reference

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

InChI=1S/C20H18N4O5S.Na/c1-12-3-4-15(11-13(12)2)22-24-19-18(25)10-9-17(20(19)26)23-21-14-5-7-16(8-6-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1/b23-21+,24-22+;

13 October 2016

Identifiers

InChI

1 reference

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

YGJUSZKNXPDFIW-BAYNMDCWSA-M

13 October 2016

InChIKey

1 reference

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

13 October 2016

1 reference

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

13 October 2016

2 references