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Substance Name: Benzoic acid, 5-(2-(4-(2-(7-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-3-hydroxy-1-sulfo-2-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-
RN: 68400-30-6
InChIKey: QOUZHYIOPHRTJE-GJGYEWHGSA-N

Molecular Formula

  • C38-H28-N8-O12-S2

Molecular Weight

  • 852.8152
 
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Names and Synonyms

Synonyms

  • 5-((4-((7-(4,5-Dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-3-hydroxy-1-sulfo-2-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoic acid
  • EINECS 270-019-9

Systematic Names

  • 5-((4-((7-(4,5-Dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-3-hydroxy-1-sulpho-2-naphthyl)azo)-3-methoxy-7-sulpho-1-naphthyl)azo)salicylic acid
  • Benzoic acid, 5-((4-((7-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-3-hydroxy-1-sulfo-2-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-
  • Benzoic acid, 5-(2-(4-(2-(7-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-3-hydroxy-1-sulfo-2-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 68400-30-6

System Generated Number

  • 0068400306

Structure Descriptors

InChI

1S/C38H28N8O12S2/c1-19-33(42-39-21-6-4-3-5-7-21)37(49)46(45-19)23-10-8-20-14-31(48)35(36(26(20)16-23)60(55,56)57)44-43-34-25-12-11-24(59(52,53)54)17-27(25)29(18-32(34)58-2)41-40-22-9-13-30(47)28(15-22)38(50)51/h3-18,33,47-48H,1-2H3,(H,50,51)(H,52,53,54)(H,55,56,57)/b41-40+,42-39+,44-43+

InChIKey

QOUZHYIOPHRTJE-GJGYEWHGSA-N

Smiles

CC1=NN(C(=O)C1/N=N/c2ccccc2)c3ccc4cc(c(c(c4c3)S(=O)(=O)O)/N=N/c5c6ccc(cc6c(cc5OC)/N=N/c7ccc(c(c7)C(=O)O)O)S(=O)(=O)O)O