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Substance Name: Benzoic acid, 2-(2-(1-amino-7-(2-(4-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-2-methoxyphenyl)diazenyl)-8-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-5-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:7)
RN: 80441-75-4
InChIKey: ZBRGMDIGKXCHBO-NIBXGCRPSA-N

Molecular Formula

  • C58-H41-N15-O24-S4.7Na

Molecular Weight

  • 1621.2369
 
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Names and Synonyms

Synonym

  • EINECS 279-471-1

Systematic Names

  • Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, heptasodium salt
  • Benzoic acid, 2-(2-(1-amino-7-(2-(4-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-2-methoxyphenyl)diazenyl)-8-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-5-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:7)

Registry Numbers

CAS Registry Number

  • 80441-75-4

System Generated Number

  • 0080441754

Molecular Formulas

Molecular Formula

  • C58-H41-N15-O24-S4.7Na

Molecular Formula Fragments

  • C58-H41-N15-O24-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C58H41N15O24S4.7Na/c1-97-40-19-26(65-72-51-44(101(94,95)96)21-30-28(54(51)77)7-9-35(60)48(30)69-63-25-5-13-39(75)33(18-25)58(83)84)3-11-37(40)67-73-52-42(99(88,89)90)15-22-14-41(98(85,86)87)49(46(61)45(22)55(52)78)70-66-36-10-2-23(16-31(36)56(79)80)64-71-50-43(100(91,92)93)20-29-27(53(50)76)6-8-34(59)47(29)68-62-24-4-12-38(74)32(17-24)57(81)82;;;;;;;/h2-21,74-78H,59-61H2,1H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96);;;;;;;/q;7*+1/b68-62+,69-63+,70-66+,71-64+,72-65+,73-67+;;;;;;;

InChIKey

ZBRGMDIGKXCHBO-NIBXGCRPSA-N

Smiles

COc1cc(ccc1/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4C(=O)O)/N=N/c5c(cc6c(c5O)ccc(c6/N=N/c7ccc(c(c7)C(=O)O)O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/N=N/c8c(cc9c(c8O)ccc(c9/N=N/c1ccc(c(c1)C(=O)O)O)N)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]